DEACETOXYVINZOLIDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H56ClN5O7
Molecular Weight	826.419
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12N(C)C3=C(C=C(C(OC)=C3)[C@]4(C[C@H]5C[N@](C[C@](O)(CC)C5)CCC6=C4NC7=CC=CC=C67)C(=O)OC)[C@@]18CCN9CC=C[C@@](CC)(C[C@@]2%10OC(=O)N(CCCl)C%10=O)[C@@]89[H]

InChI

InChIKey=NUXKIZBEPYVRKP-RWBWKAGLSA-N

InChI=1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C46H56ClN5O7
Molecular Weight	826.419
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:55:10 GMT 2023` Edited by `admin` on `Sat Dec 16 01:55:10 GMT 2023`
Record UNII	6PBV11IO5E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEACETOXYVINZOLIDINE

Common Name

English

KAR 2

Common Name

English

3''-(.BETA.-CHLOROETHYL)-3-SPIRO-2'',4''-DIOXO-5-OXAZOLIDINO-4'-DEACETOXYVINBLASTINE

Common Name

English

KAR-2

Common Name

English

Code System Code Type Description

MESH

C107832