Valepotriate

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Names

[ 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

Related Compounds

3-Hydroxy-3-(2-hydroxy-4-methoxyphenyl)propanenitrile
2-(3,5-Dichlorophenyl)cyclopropan-1-amine hydrochloride
rac-(3R,5S)-5-phenyl-4-[(prop-2-en-1-yloxy)carbonyl]thiomorpholine-3-carboxylic acid
1-(3,5-Dimethoxypyridin-4-yl)cyclopentan-1-amine
methyl[2-(3-nitro-1H-pyrazol-4-yl)ethyl]amine
3-(3-Pyrrolidinyloxy)-1H-pyrazole
1-(2,3-Dihydro-1-benzofuran-5-yl)-4,4-difluorocyclohexan-1-amine
2-[4-(Methylsulfanyl)phenyl]ethane-1-sulfonyl fluoride
O-[2-(1-ethenyl-1H-pyrazol-4-yl)-2-methylpropyl]hydroxylamine
(2R)-4-(2-bromo-3-nitrophenyl)butan-2-ol

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