Valepotriate

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Names

[ CAS No. ]:
18296-44-1

[ Name ]:
Valepotriate

[Synonym ]:
Butanoic acid, 3-methyl-, (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl ester
(1S,6S,7R,7aS)-4-(Acetoxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-1,6-diyl bis(3-methylbutanoate)
tolterodine
Baldrisedon
(1S-(1a,6a,7b,7aa))-3-Methylbutanoic Acid 4-((Acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta[c]pyran-7(1H),2'-oxirane)-1,6-diyl Ester
(1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-1,6-diyl bis(3-methylbutanoate)
valepotriate
ValtratuM
Halazuchrome B
ValepotriatuM
EINECS 242-174-2

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
525.9±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C22H30O8

[ Molecular Weight ]:
422.469

[ Flash Point ]:
226.5±30.2 °C

[ Exact Mass ]:
422.194061

[ PSA ]:
100.66000

[ LogP ]:
2.36

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.528

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK7902000
CHEMICAL NAME :
Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c) pyran- 7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-
CAS REGISTRY NUMBER :
18296-44-1
LAST UPDATED :
198809
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C22-H30-O8
MOLECULAR WEIGHT :
422.52

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 :
60 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
50 nmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 203,81,1988

Safety Information

[ HS Code ]:
29329990

Precursor & DownStream

Precursor

DownStream

  • Baldrinal

Related Compounds

  • 3-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]formamido}-2-hydroxypropanoic acid
  • 1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-2-methylpiperidine-4-carboxylic acid
  • 2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]-4,4-difluorobutanoic acid
  • 3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]-3-(thiophen-2-yl)propanoic acid
  • 2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-2-phenylpropanoic acid
  • (3R)-3-{[(2RS,3RS)-3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]oxolan-2-yl]formamido}butanoic acid
  • rac-2-ethyl-2-{[(1R,5S)-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohex-3-en-1-yl]formamido}butanoic acid
  • (2S)-3-(dimethylamino)-2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanamido]propanoic acid
  • rac-3-{2-[(1R,2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]acetamido}propanoic acid
  • 4-{[(cyclopent-3-en-1-yl)methyl]carbamoyl}-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
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