Bromocriptine

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Names

[ CAS No. ]:
25614-03-3

[ Name ]:
Bromocriptine

[Synonym ]:
Bromocryptine
MFCD00870213
Bromoergocryptine
Bromergocryptine
Bromoergocriptine
Bromocriptinum
Ergoset
EINECS 247-128-5
Bromocriptin

Chemical & Physical Properties

[ Density]:
1.52 g/cm3

[ Boiling Point ]:
891.3ºC at 760 mmHg

[ Molecular Formula ]:
C32H40BrN5O5

[ Molecular Weight ]:
654.59400

[ Flash Point ]:
492.8ºC

[ Exact Mass ]:
653.22100

[ PSA ]:
118.21000

[ LogP ]:
3.39740

[ Vapour Pressure ]:
4.15E-34mmHg at 25°C

[ Index of Refraction ]:
1.696

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE7625000
CHEMICAL NAME :
Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpr opyl)-, (5'-alpha)-
CAS REGISTRY NUMBER :
25614-03-3
LAST UPDATED :
199703
DATA ITEMS CITED :
38
MOLECULAR FORMULA :
C32-H40-Br-N5-O5
MOLECULAR WEIGHT :
654.68

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
6 mg/kg/60D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
12 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2423 ug/kg
SEX/DURATION :
lactating female 3 week(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1500 ug/kg
SEX/DURATION :
lactating female 9 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - postpartum
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1500 ug/kg
SEX/DURATION :
lactating female 15 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - postpartum
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1750 ug/kg
SEX/DURATION :
lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - postpartum
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
21700 ug/kg
SEX/DURATION :
female 28 week(s) pre-mating female 1-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - respiratory system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
3500 ug/kg
SEX/DURATION :
female 14 day(s) pre-mating female 1-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
11900 ug/kg
SEX/DURATION :
female 77 day(s) pre-mating female 1-42 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
11200 ug/kg
SEX/DURATION :
female 44 day(s) pre-mating female 1-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
2800 ug/kg
SEX/DURATION :
female 24-52 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
70 mg/kg
SEX/DURATION :
female 13-19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1950 ug/kg
SEX/DURATION :
female 5-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
5100 ug/kg
SEX/DURATION :
lactating female 3 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - postpartum
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
17500 ug/kg
SEX/DURATION :
male 35 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
88 mg/kg
SEX/DURATION :
female 1-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
8125 ug/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
84 mg/kg
SEX/DURATION :
lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
200 mg/kg
SEX/DURATION :
female 50 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
212 mg/kg
SEX/DURATION :
female 32 day(s) pre-mating female 21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
4 mg/kg
SEX/DURATION :
male 10 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
750 ug/kg
SEX/DURATION :
female 43-48 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
600 ug/kg
SEX/DURATION :
female 42-47 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
8 mg/kg
SEX/DURATION :
female 27-30 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - other effects to embryo
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
400 ug/kg
SEX/DURATION :
male 50 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3 mg/kg
SEX/DURATION :
male 84 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands Reproductive - Paternal Effects - other effects on male
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
75200 ug/kg
SEX/DURATION :
female 42-49 week(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition Reproductive - Maternal Effects - postpartum
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
22400 ug/kg
SEX/DURATION :
female 42-44 week(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Endocrine - estrogenic
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
1 mg/kg
SEX/DURATION :
female 23 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
4 mg/kg
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 36,2223,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6252 No. of Facilities: 9 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 339 (estimated) No. of Female Employees: 170 (estimated)

Safety Information

[ Hazard Codes ]:
Xn,Xi

[ Risk Phrases ]:
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .

[ Safety Phrases ]:
S45

Synthetic Route

Precursor & DownStream

Precursor

  • alpha-ergocryptine
  • Bromo(trimethyl)silane

DownStream


Related Compounds

  • Apo-Bromocriptine
  • Bromocriptine mesylate
  • 2-((4-bromophenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
  • (2R)-(t-butyloxycarbonylamino)-5-iodopentanoic acid t-butyl ester
  • 2-((2-ethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3,3-dimethylbutanoate
  • 3-[5-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(furan-2-yl)methyl]propanamide
  • 3-[5-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(furan-2-yl)methyl]propanamide
  • 2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl 4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
  • 4-((2-(5-chloro-2-methylphenyl)-1,1-dioxido-3-oxo-2H-benzo[e][1,2,4]thiadiazin-4(3H)-yl)methyl)benzonitrile
  • 2-(5-chloro-2-methylphenyl)-4-(2,5-dimethylbenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
  • N-cyclohexyl-3-[5-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide
  • N-cyclohexyl-3-{3-oxo-5-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-2-yl}propanamide