VindesineSulfateSalt

Basic Information

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CAS Number

59917-39-4

Molecular Formula

C43H57N5O11S

Molecular Weight

852.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>2500C

Solubility

deionized water: ≥50mg/mL

SMILES

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CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O

InChI

InChI=1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34+,35-,36-,39+,40-,41-,42+,43+;/m1./s1

InChIKey

COFJBSXICYYSKG-FJFFLIEUSA-N

LogP

2.0796000000000023

Topological Polar Surface Area

239.41999999999996 Å²

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1650

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 in mice, rats (mg/kg): 6.3 ± 0.6, 2.0 ± 0.2 i.v. (Todd); in mice: 8.8 ± 2.5 i.p. (Owellen, Biochem. Pharmacol.)

Synonyms & References

English

Vindesine sulfate- Bio-X
CHEBI:32295
Desacetyl Vinblastine amide
N-a-Boc-D-2,4-Diaminobutyricacid
Desacetylvinblastine amide sulfate salt hydrate
DTXSID0049074
CS-0103448
Vindesine sulfate salt
D01769
Eldesine
AC-24198
Vindesine sulfate (JAN/USAN)
CCG-101151
Eldisine
VDSDesacetyl Vinblastine amide
VINDESINE SULFATE(RG)
SMR000469153
3-(Aminocarbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine sulfate salt hydrate
Desacetylvinblastine amide sulfate
HMS2052B03
s2440
BV164524
MS-31575
Vindesine (sulfate)
Vindesine sulfate salt hydrate
Tox21_113632
MLS001424270
HY-129071
SCHEMBL4285
3-Carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine sulfate (1:1) (salt)
CHEMBL2105882