VINFOSILTINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H72N5O10P.H2O4S
Molecular Weight	1044.197
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@@]12N3CC[C@@]14C5=C(C=C(OC)C(=C5)[C@]6(C[C@@]7([H])CN(C[C@](O)(CC)C7)CCC8=C6NC9=C8C=CC=C9)C(=O)OC)N(C)[C@@]4([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)N[C@H](C(C)C)P(=O)(OCC)OCC

InChI

InChIKey=BZUUMJJIORUJAU-DVQOEFLDSA-N

InChI=1S/C51H72N5O10P.H2O4S/c1-10-47(60)27-32-28-50(46(59)64-9,40-34(19-23-55(29-32)30-47)33-17-14-15-18-37(33)52-40)36-25-35-38(26-39(36)63-8)54(7)43-49(35)21-24-56-22-16-20-48(11-2,42(49)56)44(57)51(43,61)45(58)53-41(31(5)6)67(62,65-12-3)66-13-4;1-5(2,3)4/h14-18,20,25-26,31-32,41-44,52,57,60-61H,10-13,19,21-24,27-30H2,1-9H3,(H,53,58);(H2,1,2,3,4)/t32-,41-,42-,43+,44+,47-,48+,49+,50-,51-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C51H72N5O10P
Molecular Weight	946.1186
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:11:41 UTC 2023` Edited by `admin` on `Sat Dec 16 16:11:41 UTC 2023`
Record UNII	JT6020N64H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VINFOSILTINE SULFATE

Common Name

English

VINCALEUKOBLASTINE, O4-DEACETYL-3-DE(METHOXYCARBONYL)-3-(((1-(DIETHOXYPHOSPHINYL)-2-METHYLPROPYL)AMINO)CARBONYL)-, (3(S))-, SULFATE (1:1) (SALT)

Systematic Name

English

S 12363

Code

English

S-12363

Code

English

S12363

Code

English

Code System Code Type Description

FDA UNII

JT6020N64H