4-DEACETYLVINBLASTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H56N4O8
Molecular Weight	768.9374
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12N3CC[C@@]14C5=C(C=C(OC)C(=C5)[C@]6(C[C@H]7C[N@](C[C@](O)(CC)C7)CCC8=C6NC9=CC=CC=C89)C(=O)OC)N(C)[C@@]4([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)OC

InChI

InChIKey=NDMPLJNOPCLANR-XQLDGQACSA-N

InChI=1S/C44H56N4O8/c1-7-40(52)22-26-23-43(38(50)55-5,34-28(14-18-47(24-26)25-40)27-12-9-10-13-31(27)45-34)30-20-29-32(21-33(30)54-4)46(3)36-42(29)16-19-48-17-11-15-41(8-2,35(42)48)37(49)44(36,53)39(51)56-6/h9-13,15,20-21,26,35-37,45,49,52-53H,7-8,14,16-19,22-25H2,1-6H3/t26-,35-,36+,37+,40-,41+,42+,43-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H56N4O8
Molecular Weight	768.9374
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:04:34 GMT 2023` Edited by `admin` on `Sat Dec 16 15:04:34 GMT 2023`
Record UNII	2Q5SB43WZ2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DEACETYLVINBLASTINE

Common Name

English

4-DESACETYLVINCALEUKOBLASTINE

Common Name

English

O4-DEACETYLVINCALEUKOBLASTINE

Common Name

English

4-O-DEACETYLVINBLASTINE

Common Name

English

DEACETYLVINCALEUKOBLASTINE

Common Name

English

DESACETYLVINBLASTINE

Common Name

English

4-DESACETYLVINBLASTINE

Common Name

English

METHYL (3AR,4R,5S,5AR,10BR,13AR)-3A-ETHYL-9-((5S,7R,9S)-5-ETHYL-5-HYDROXY-9-(METHOXYCARBONYL)-1,4,5,6,7,8,9,10-OCTAHYDRO-2H-3,7-METHANOAZACYCLOUNDECINO(5,4-B)INDOL-9-YL)-4,5-DIHYDROXY-8-METHOXY-6-METHYL-3A,4,5,5A,6,11,12,13A-OCTAHYDRO-1H-INDOLIZINO(8,1-C

Systematic Name

English

VINCALEUKOBLASTINE, O4-DEACETYL-

Common Name

English

DEACETYLVINBLASTINE

Common Name

English

VINCRISTINE SULFATE IMPURITY E [EP IMPURITY]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60955143