Temocapril (hydrochloride)

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Names

[ CAS No. ]:
110221-44-8

[ Name ]:
Temocapril (hydrochloride)

[Synonym ]:
Temocapril (hydrochloride)
[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)
CS-622
[(2S,6R)-6-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride
[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride
(+)-(2S,6R)-6-(((1S)-1-Carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid 6-ethyl ester monohydrochloride
[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl]acetic acid hydrochloride
1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, (2S,6R)-, hydrochloride (1:1)
Acecol
Temocapril HCl
Temocarpilhydrochloride
TemocarpileHCL
MFCD00933433
[(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)
(2S-(2a,6b(R*)))-6-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4-(5H)-acetic acid monohydrochloride
[(2S,6R)-6-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)

Chemical & Physical Properties

[ Boiling Point ]:
717.4ºC at 760 mmHg

[ Melting Point ]:
196-200ºC (dec)

[ Molecular Formula ]:
C23H29ClN2O5S2

[ Molecular Weight ]:
513.07

[ Flash Point ]:
387.7ºC

[ PSA ]:
153.42000

[ LogP ]:
1.28460

[ Vapour Pressure ]:
1.34E-21mmHg at 25°C

[ Index of Refraction ]:
1.628

[ Storage condition ]:
-20°C Freezer

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ0560000
CHEMICAL NAME :
1,4-Thiazapine-4(5H)-acetic acid, 6-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydr o- 5-oxo-2-(2-thienyl)-, monohydrochloride, (2S-(2-alpha,6-beta(R*)))-
CAS REGISTRY NUMBER :
110221-44-8
LAST UPDATED :
199409
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C23-H28-N2-O5-S2.Cl-H
MOLECULAR WEIGHT :
513.11

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 :
>5 gm/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3911,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
253 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3911,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3911,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
88 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3911,1991 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14600 mg/kg/1Y-C
TOXIC EFFECTS :
Cardiac - changes in heart weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in erythrocyte (RBC) count
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3933,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
90 gm/kg/90D-I
TOXIC EFFECTS :
Cardiac - changes in heart weight Blood - changes in erythrocyte (RBC) count Related to Chronic Data - death
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3917,1991 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
550 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Effects on Newborn - behavioral
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3955,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5500 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3955,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
9800 mg/kg
SEX/DURATION :
male 11 week(s) pre-mating female 2 week(s) pre-mating - 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 21,2523,1993

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (S)-ethyl 2-(((2S,6R)-4-(2-(tert-butoxy)-2-oxoethyl)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl)amino)-4-phenylbutanoate
  • 2-[(E)-2-Nitrovinyl]thiophene
  • (3e)-2-Oxo-4-Phenylbut-3-Enoic Acid
  • 2-oxo-4-phenylbut-3-enoic acid 2-isopropyl-5-methylcyclohexyl ester
  • N-t-butoxycarbonyl-S-[2-nitro-1-(thien-2-yl)ethyl]-L-cysteine
  • D-2-hydroxy-4-phenyl-butyric acid-((1R)-menthyl ester)
  • (R)-2-Hydroxy-4-phenylbutyric acid
  • Ethyl (R)-2-hydroxy-4-phenylbutyrate
  • Ethyl (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyrate

DownStream

  • Temocaprilat

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • Tyrocidine, hydrochloride
  • Triprolidine hydrochloride
  • Minoxidil hydrochloride
  • Elacridar hydrochloride
  • dodecylamine hydrochloride
  • Azetidine, hydrochloride, homopolymer (9CI)
  • methyl 5-(2-aminopropanoyl)-1-methyl-1H-pyrazole-3-carboxylate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • Methyl 4-amino-3-(dimethoxymethyl)butanoate
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-butyl N-[2-(3-cyanophenyl)-2-hydroxyethyl]-N-methylcarbamate