Vinleurosine sulfate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C46H56N4O9.H2O4S
Molecular Weight	1715.995
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@]12O[C@@]1(CC)C[N@]3C[C@@H]2C[C@@](C(=O)OC)(C4=C(CC3)C5=CC=CC=C5N4)C6=CC7=C(C=C6OC)N(C)[C@]8([H])[C@]79CCN%10CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]8(O)C(=O)OC)[C@@]9%10[H].[H][C@]%11%12O[C@@]%11(CC)C[N@]%13C[C@@H]%12C[C@@](C(=O)OC)(C%14=C(CC%13)C%15=CC=CC=C%15N%14)C%16=CC%17=C(C=C%16OC)N(C)[C@]%18([H])[C@]%17%19CCN%20CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]%18(O)C(=O)OC)[C@@]%19%20[H]

InChI

InChIKey=YCWXIQRLONXJLF-FOVAWKNMSA-N

InChI=1S/2C46H56N4O9.H2O4S/c2*1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h2*10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t2*27-,36+,37-,38+,39+,42+,43-,44+,45-,46-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C46H56N4O9
Molecular Weight	808.9582
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 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 `Fri Dec 15 15:03:02 UTC 2023` Edited by `admin` on `Fri Dec 15 15:03:02 UTC 2023`
Record UNII	G7E5NU015T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Vinleurosine sulfate

Official Name

English

VINCALEUKOBLASTINE, 4'-DEOXY-3',4'-EPOXY-, (3'.ALPHA.,4'.ALPHA.)-, SULFATE (2:1)

Common Name

English

LILLY 32645

Code

English

VINLEUROSINE SULPHATE

Common Name

English

VINLEUROSINE SULFATE [USAN]

Common Name

English

LY-32645

Code

English

LEUROSINE SULFATE

Common Name

English

NSC-90636

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C932