L-Lysine, N6-[7- (acetylamino)-5,6,7,9-tetrahydro-1,2, 3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]- methyl ester, (S)-

Modify Date: 2025-08-25 16:43:12

L-Lysine, N6-[7- (acetylamino)-5,6,7,9-tetrahydro-1,2, 3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]- methyl ester, (S)- structure	Common Name	L-Lysine, N6-[7- (acetylamino)-5,6,7,9-tetrahydro-1,2, 3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]- methyl ester, (S)-
	CAS Number	77096-41-4	Molecular Weight	527.60900
	Density	1.24g/cm3	Boiling Point	804.9ºC at 760 mmHg
	Molecular Formula	C₂₈H₃₇N₃O₇	Melting Point	N/A
	MSDS	N/A	Flash Point	440.6ºC

Name	colkhisin

Density	1.24g/cm3
Boiling Point	804.9ºC at 760 mmHg
Molecular Formula	C₂₈H₃₇N₃O₇
Molecular Weight	527.60900
Flash Point	440.6ºC
Exact Mass	527.26300
PSA	138.21000
LogP	4.10970
Index of Refraction	1.584
InChIKey	FTLHCEAFWUCXSM-UHFFFAOYSA-N
SMILES	COC(=O)C(N)CCCCNc1ccc2c(cc1=O)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OL5548000

CHEMICAL NAME :: L-Lysine, N(sup 6)-(7-acetamido-1,2,3-trimethoxy-9-oxo-5,6-dihydroben z(a)heptalen-10-yl) methyl ester

CAS REGISTRY NUMBER :: 77096-41-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C28-H37-N3-O7

MOLECULAR WEIGHT :: 527.68

WISWESSER LINE NOTATION :: L B677 MV&T&J CO1 DO1 EO1 JMV1 NM4YZVO1

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 :: 528 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,636,1981

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