1-DEMETHYLVINCALEUKOBLASTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H56N4O9
Molecular Weight	796.9475
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-DEMETHYLVINCALEUKOBLASTINE

Structure Search

SMILES

CC[C@]1(O)C[C@@H]2C[N@](C1)CCC3=C(NC4=C3C=CC=C4)[C@@](C2)(C(=O)OC)C5=C(OC)C=C6N[C@@H]7[C@]8(CCN9CC=C[C@](CC)([C@@H]89)[C@@H](OC(C)=O)[C@]7(O)C(=O)OC)C6=C5

InChI

InChIKey=OBEIXXHHUOSBLA-UQUCNHJPSA-N

InChI=1S/C45H56N4O9/c1-7-41(53)22-27-23-44(39(51)56-5,35-29(14-18-48(24-27)25-41)28-12-9-10-13-32(28)46-35)31-20-30-33(21-34(31)55-4)47-36-43(30)16-19-49-17-11-15-42(8-2,37(43)49)38(58-26(3)50)45(36,54)40(52)57-6/h9-13,15,20-21,27,36-38,46-47,53-54H,7-8,14,16-19,22-25H2,1-6H3/t27-,36+,37-,38+,41-,42+,43-,44-,45-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H56N4O9
Molecular Weight	796.9475
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:20:51 GMT 2025` Edited by `admin` on `Wed Apr 02 00:20:51 GMT 2025`
Record UNII	ER7ATN96R8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DEFORMYLLEUROCRISTINE

Preferred Name

English

1-DEMETHYLVINCALEUKOBLASTINE

Common Name

English

N-DEMETHYLVINCALEUKOBLASTINE

Common Name

English

N-DEMETHYLVINBLASTINE

Common Name

English

N-DEFORMYLVINCRISTINE

Common Name

English

VINCRISTINE SULFATE IMPURITY C [EP IMPURITY]

Common Name

English

N-DESMETHYL VINBLASTINE

Systematic Name

English

N-DESMETHYLVINBLASTINE

Common Name

English

METHYL (3AR,4R,5S,5AR,10BS,13AR)-4-(ACETYLOXY)-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)-5-HYDROXY-8-METHOXY-3A,4,5,5A,6,11,12,13A-OCTAHYDRO-1H-INDOLIZINO(8,1-

Systematic Name

English

VINCALEUKOBLASTINE, 1-DEMETHYL-

Common Name

English

Code System Code Type Description

FDA UNII

ER7ATN96R8