Naltrexone Hydrochloride

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Names

[ CAS No. ]:
16676-29-2

[ Name ]:
Naltrexone Hydrochloride

[Synonym ]:
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5α)-, hydrochloride (1:1)
EINECS 240-723-0
(1S,5R,13R,17S)-4-(cyclopropylméthyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0.0.0]octadéca-7(18),8,10-trién-14-one chlorhydrate
MFCD00069324
(1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0.0.0]octadeca-7(18),8,10-trien-14-one hydrochloride
morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5α)-, hydrochloride
(5α)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one hydrochloride (1:1)
Naltrexone hydrochloride
Naltrexone HCl
(5α)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one hydrochloride
(1S,5R,13R,17S)-4-(Cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0.0.0]octadeca-7(18),8,10-trien-14-onhydrochlorid

Chemical & Physical Properties

[ Density]:
1.47 g/cm3

[ Boiling Point ]:
558.1ºC at 760 mmHg

[ Melting Point ]:
274-2760C

[ Molecular Formula ]:
C20H24ClNO4

[ Molecular Weight ]:
377.862

[ Flash Point ]:
291.4ºC

[ Exact Mass ]:
377.139374

[ PSA ]:
70.00000

[ LogP ]:
2.26530

[ Vapour Pressure ]:
2.71E-13mmHg at 25°C

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
H2O: 50 mg/mL, clear, colorless

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD2160000
CHEMICAL NAME :
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-alpha-oxy-3,14-dihydoxy-, hydrochloride
CAS REGISTRY NUMBER :
16676-29-2
LAST UPDATED :
199712
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C20-H23-N-O4.Cl-H
MOLECULAR WEIGHT :
377.90
WISWESSER LINE NOTATION :
T B6566 B6/CO 4ABBC R BX FV HO PN GHT&&TTJ CQ JQ P1- AL3TJ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1450 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 :
1100 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 :
Primate - monkey
DOSE/DURATION :
3 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 :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1490 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 :
Intraperitoneal
DOSE :
1100 mg/kg
SEX/DURATION :
female 1-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Human Fibroblast
DOSE/DURATION :
100 mg/L
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,103,1978

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Precautionary Statements ]:
P301 + P312 + P330

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
QD2160000

Synthetic Route

Precursor & DownStream

Precursor

  • Nor Oxymorphone
  • Cyclopropanecarboxyldehyde
  • naltrexone

DownStream

  • N-Methylnaltrindole
  • NALTRIBEN MESYLATE
  • Naltrindol
  • nor-Binaltorphimine(nor-BNI)
  • Naltrindole hydrochloride
  • naltrexone
  • Cyprodime hydrochloride,17-(Cyclopropylmethyl)-4,14-dimethoxymorphinan-6-onehydrochloride
  • Disiloxane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tetramethyl-
  • Ketorfanol

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Related Compounds

  • Naltrexone Hydrochloride
  • 6beta-Hydroxynaltrexone hydrochloride
  • naltrexone-3-salicylate
  • MCLA hydrochloride
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  • norfluoxetine hydrochloride