CAS 89662-30-6|Detirelix

Introduction:Basic information about CAS 89662-30-6|Detirelix, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameDetirelix
CAS Number89662-30-6Molecular Weight1538.23000
Density/Boiling Point/
Molecular FormulaC78H105ClN18O13Melting Point/
MSDS/Flash Point/

Names

NameDeterelix

Chemical & Physical Properties

Molecular FormulaC78H105ClN18O13
Molecular Weight1538.23000
Exact Mass1536.78000
PSA479.87000
LogP8.00600
Index of Refraction1.658
InChIKeyOFQNFLLLCMQNEP-MIPXGPCFSA-N
SMILESCCNC(=NCCCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(Cc1ccc2ccccc2c1)NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O)NCC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY2961800
CHEMICAL NAME :
D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-pheny lalanyl-D-tryptophyl- L-seryl-L-tyrosyl-N(sup 6)-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-L-argi nyl-L-prolyl-
CAS REGISTRY NUMBER :
89662-30-6
LAST UPDATED :
199706
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C78-H105-Cl-N18-O13
MOLECULAR WEIGHT :
1538.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>40 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1200 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis Skin and Appendages - hair
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
>20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
>500 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
34 mg/kg/12W-C
TOXIC EFFECTS :
Behavioral - food intake (animal) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Related to Chronic Data - changes in testicular weight
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
17 mg/kg/12W-C
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure) Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1400 ug/kg
SEX/DURATION :
female 27 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Maternal Effects - other effects Endocrine - changes in luteinizing hormone
REFERENCE :
JCEMAZ Journal of Clinical Endocrinology and Metabolism. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.12- 1952- Volume(issue)/page/year: 72,927,1991
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