ALB-109564

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H60N4O9S
Molecular Weight	857.066
Optical Activity	( + )
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@]1(O)C[C@@H]2C[N@](C1)CCC3=C(NC4=C3C=C(SC)C=C4)[C@@](C2)(C(=O)OC)C5=CC6=C(C=C5OC)N(C)[C@@H]7[C@]68CCN9CC=C[C@](CC)([C@@H]89)[C@@H](OC(C)=O)[C@]7(O)C(=O)OC

InChI

InChIKey=JICBRHIOKVTMPJ-SYWRHQDJSA-N

InChI=1S/C47H60N4O9S/c1-9-43(55)23-28-24-46(41(53)58-6,37-30(14-18-50(25-28)26-43)31-20-29(61-8)12-13-34(31)48-37)33-21-32-35(22-36(33)57-5)49(4)39-45(32)16-19-51-17-11-15-44(10-2,38(45)51)40(60-27(3)52)47(39,56)42(54)59-7/h11-13,15,20-22,28,38-40,48,55-56H,9-10,14,16-19,23-26H2,1-8H3/t28-,38-,39+,40+,43-,44+,45+,46-,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H60N4O9S
Molecular Weight	857.066
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 `Mon Mar 31 21:30:40 GMT 2025` Edited by `admin` on `Mon Mar 31 21:30:40 GMT 2025`
Record UNII	EUY2631TAL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-ALB-109564

Preferred Name

English

ALB-109564

Common Name

English

ALB 109564 [WHO-DD]

Common Name

English

VINCALEUKOBLASTINE, 12'-(METHYLTHIO)-

Common Name

English

ALB-109564 FREE BASE

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C162527