CAS 85921-53-5|Calcium (S)-1-((S)-3-(((R)-2-(cyclohexanecarboxamido)propanoyl)thio)-2-methylpropanoy

Introduction：Basic information about CAS 85921-53-5|Calcium (S)-1-((S)-3-(((R)-2-(cyclohexanecarboxamido)propanoyl)thio)-2-methylpropanoy, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Synonyms

Common Name	Calcium (S)-1-((S)-3-(((R)-2-(cyclohexanecarboxamido)propanoyl)thio)-2-methylpropanoyl)pyrrolidine-2-carboxylate
CAS Number	85921-53-5	Molecular Weight	835.09600
Density	1.248g/cm3	Boiling Point	658.9ºC at 760mmHg
Molecular Formula	C₃₈H₅₈CaN₄O₁₀S₂	Melting Point	/
MSDS	/	Flash Point	352.3ºC

Names

Name	Moveltipril calcium
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.248g/cm3
Boiling Point	658.9ºC at 760mmHg
Molecular Formula	C₃₈H₅₈CaN₄O₁₀S₂
Molecular Weight	835.09600
Flash Point	352.3ºC
Exact Mass	834.32200
PSA	236.16000
LogP	4.58920
InChIKey	CUZMQPZYCDIHQL-VCTVXEGHSA-L
SMILES	CC(CSC(=O)C(C)NC(=O)C1CCCCC1)C(=O)N1CCCC1C(=O)[O-].CC(CSC(=O)C(C)NC(=O)C1CCCCC1)C(=O)N1CCCC1C(=O)[O-].[Ca+2]
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TW3620000

CAS REGISTRY NUMBER :: 85921-53-5

LAST UPDATED :: 199106

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C38-H58-N4-O10-S2.Ca

MOLECULAR WEIGHT :: 835.20

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 :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TJEMAO Tohoku Journal of Experimental Medicine. (Maruzen Co. Ltd., Export Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan) V.1- 1920- Volume(issue)/page/year: 152,363,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TJEMAO Tohoku Journal of Experimental Medicine. (Maruzen Co. Ltd., Export Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan) V.1- 1920- Volume(issue)/page/year: 152,363,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TJEMAO Tohoku Journal of Experimental Medicine. (Maruzen Co. Ltd., Export Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan) V.1- 1920- Volume(issue)/page/year: 152,363,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TJEMAO Tohoku Journal of Experimental Medicine. (Maruzen Co. Ltd., Export Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan) V.1- 1920- Volume(issue)/page/year: 152,363,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TJEMAO Tohoku Journal of Experimental Medicine. (Maruzen Co. Ltd., Export Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan) V.1- 1920- Volume(issue)/page/year: 152,363,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TJEMAO Tohoku Journal of Experimental Medicine. (Maruzen Co. Ltd., Export Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan) V.1- 1920- Volume(issue)/page/year: 152,363,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >6 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TJEMAO Tohoku Journal of Experimental Medicine. (Maruzen Co. Ltd., Export Dept., P.O. Box 5050, Tokyo Int., 100-31 Tokyo, Japan) V.1- 1920- Volume(issue)/page/year: 152,363,1987 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 40 gm/kg

SEX/DURATION :: male 60 day(s) pre-mating female 2 week(s) pre-mating female 1 week(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: 18,3301,1990

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2500 mg/kg

SEX/DURATION :: female 17-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)

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: 18,3335,1990

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 625 mg/kg

SEX/DURATION :: female 17-21 day(s) after conception

TOXIC EFFECTS :: 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: 18,3335,1990

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 130 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

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: 18,3325,1990

Synonyms

MC 838

altiopril calcium

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