Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)-

Modify Date: 2024-01-08 12:50:00

Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)- structure	Common Name	Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)-
	CAS Number	72615-20-4	Molecular Weight	383.22400
	Density	1.55g/cm3	Boiling Point	642.9ºC at 760 mmHg
	Molecular Formula	C₁₄H₂₀Cl₂N₂O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	342.6ºC

Name	(2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide
Synonym	More Synonyms

Density	1.55g/cm3
Boiling Point	642.9ºC at 760 mmHg
Molecular Formula	C₁₄H₂₀Cl₂N₂O₆
Molecular Weight	383.22400
Flash Point	342.6ºC
Exact Mass	382.07000
PSA	142.11000
LogP	0.58260
Index of Refraction	1.613

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CP1315000

CHEMICAL NAME :: Bactobolin

CAS REGISTRY NUMBER :: 72615-20-4

LAST UPDATED :: 199309

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C14-H20-Cl2-N2-O6

MOLECULAR WEIGHT :: 383.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6250 ug/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 33,1054,1980

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 mg/kg

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

REFERENCE :: JOPHDQ Journal of Pharmacobio-Dynamics. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.1- 1978- Volume(issue)/page/year: 3,177,1980

Precursor 8
CAS#:115534-35-5 endo-(+/-)-N-(3... CAS#:115534-36-6 N-((1R,6R,9R)-8... CAS#:115534-37-7 N-((1S,4S,5S,6S... CAS#:115534-39-9 N-[1-(hexahydro...
CAS#:115534-40-2 N-[3,3-dichloro... CAS#:126423-76-5 (S)-2-((3aS,4S,... CAS#:115534-41-3 N-[3,3-dichloro... CAS#:115534-43-5 N-[8-(dichlorom...
DownStream 0

bactobolin A

BN 183B

Bactobolin

Antibiotic BN 183B

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