holomycin-d3

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Names

[ CAS No. ]:
488-04-0

[ Name ]:
holomycin-d3

[Synonym ]:
HOLOMYCIN
N-Demethylthiolutin

Chemical & Physical Properties

[ Density]:
1.632g/cm3

[ Boiling Point ]:
532.147ºC at 760 mmHg

[ Molecular Formula ]:
C₇H₆N₂O₂S₂

[ Molecular Weight ]:
214.26500

[ Flash Point ]:
275.633ºC

[ Exact Mass ]:
213.98700

[ PSA ]:
122.19000

[ LogP ]:
2.62290

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.742

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AB7450000

CHEMICAL NAME :: Acetamide, N-(4,5-dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-

CAS REGISTRY NUMBER :: 488-04-0

BEILSTEIN REFERENCE NO. :: 0188430

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H6-N2-O2-S2

MOLECULAR WEIGHT :: 214.27

WISWESSER LINE NOTATION :: T55 BMV FSSJ DMV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 mg/kg

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

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: 22,233,1969

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Acetyl chloride
6-acetylamino-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrole-3-carboxylic acid methyl ester
2-(4-methoxy-phenyl)-2-methyl-6,7-dioxo-5,6,7,7a-tetrahydro-[1,3]dithiino[5,4-b]pyrrole-4-carboxylic acid methyl ester
6-(4-methoxy-benzylamino)-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrole-3-carboxylic acid methyl ester
7-methanesulfonyloxy-2-(4-methoxy-phenyl)-2-methyl-6-oxo-5,6-dihydro-[1,3]dithiino[5,4-b]pyrrole-4-carboxylic acid methyl ester
7-(4-methoxy-benzylamino)-2-(4-methoxy-phenyl)-2-methyl-6-oxo-5,6-dihydro-[1,3]dithiino[5,4-b]pyrrole-4-carboxylic acid methyl ester