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Product Name: Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-
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76129-11-8

76129-11-8 structure

76129-11-8 structure

Name: Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-
Chemical Name: Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (S)
CAS Number: 76129-11-8
Molecular Formula: C₂₁H₂₅NO₄S
Molecular Weight: 387.49300
Create Date: 2016-10-06 04:52:23
Modify Date: 2025-08-29 08:52:36

Name	Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (S)
Synonyms	(S)-1,2,3-Trimethoxy-7-methylamino-10-methylmercapto-6,7-dihydro-5H-benzo[a]heptalen-9-on (S)-1,2,3-trimethoxy-7-methylamino-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one thiodemecolcine

Density	1.23g/cm3
Boiling Point	631.2ºC at 760 mmHg
Molecular Formula	C₂₁H₂₅NO₄S
Molecular Weight	387.49300
Flash Point	335.5ºC
Exact Mass	387.15000
PSA	82.09000
LogP	4.05910
Index of Refraction	1.607

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF9485250

CHEMICAL NAME :: Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-7-(methylamino)-10-(methylthio)-1,2,3-tri methoxy-, (S)-

CAS REGISTRY NUMBER :: 76129-11-8

BEILSTEIN REFERENCE NO. :: 3170982

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H25-N-O4-S

MOLECULAR WEIGHT :: 387.53

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 :: >100 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: 28,1204,1985

92264-45-4 structure

92264-45-4

~85%

76129-11-8 structure

76129-11-8

Literature: Kerekes, Peter; Sharma, Padam N.; Brossi, Arnold; Chignell, Colin F.; Quinn, Frank R. Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1204 - 1208

2731-16-0 structure

2731-16-0

~%

76129-11-8 structure

76129-11-8

Literature: Kerekes, Peter; Sharma, Padam N.; Brossi, Arnold; Chignell, Colin F.; Quinn, Frank R. Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1204 - 1208

76129-16-3 structure

76129-16-3

~%

76129-11-8 structure

76129-11-8

Literature: Kerekes, Peter; Sharma, Padam N.; Brossi, Arnold; Chignell, Colin F.; Quinn, Frank R. Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1204 - 1208

477-30-5 structure

477-30-5

5188-07-8 structure

5188-07-8

~%

76129-11-8 structure

76129-11-8

Literature: Velluz; Muller Bulletin de la Societe Chimique de France, 1955 , p. 198

Precursor 5
92264-45-4 2731-16-0 76129-16-3 477-30-5
5188-07-8
DownStream 0

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