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5544-25-2

5544-25-2 structure

5544-25-2 structure

Name: ANTHRAMYCIN METHYL ETHER
Chemical Name: (E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
CAS Number: 5544-25-2
Molecular Formula: C₁₇H₁₉N₃O₄
Molecular Weight: 329.35000
Create Date: 2017-12-25 07:12:59
Modify Date: 2024-04-02 13:14:22

Name	(E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
Synonyms	Roche 5-9000 Anthramycin-methylether Antibiotic A Anthramycin 11-methyl ether 11-O-Methyl-anthramycin

Density	1.4g/cm3
Boiling Point	631.8ºC at 760 mmHg
Molecular Formula	C₁₇H₁₉N₃O₄
Molecular Weight	329.35000
Flash Point	335.9ºC
Exact Mass	329.13800
PSA	104.89000
LogP	2.01470
Index of Refraction	1.672

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY8429500

CHEMICAL NAME :: 1H-Pyrrolo(2,1-c)(1,4)benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy- 11-methoxy-8-methyl-5-oxo-, (E)-, monohydrate

CAS REGISTRY NUMBER :: 5544-25-2

LAST UPDATED :: 199306

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C17-H19-N3-O4.H2-O

MOLECULAR WEIGHT :: 347.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3400 ug/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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 730 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2900 ug/kg

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

TYPE OF TEST :: Mutation test systems - not otherwise specified

TYPE OF TEST :: DNA inhibition

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Rodent - mouse Ascites tumor

DOSE/DURATION :: 5 umol/L

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 29,2195,1969

Precursor 0
DownStream 1
77165-77-6