QUINUPRISTIN MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H67N9O10S.CH4O3S
Molecular Weight	1118.324
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C3=NC=CC=C3O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]4([H])CC(=O)[C@H](CS[C@@H]5CN6CCC5CC6)CN4C(=O)[C@H](CC7=CC=C(C=C7)N(C)C)N(C)C2=O)C8=CC=CC=C8

InChI

InChIKey=ZNQOUMVWYLNQRW-FDQSXSIVSA-N

InChI=1S/C53H67N9O10S.CH4O3S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-5(2,3)4/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);1H3,(H,2,3,4)/t31-,35+,37-,38+,39+,40+,43-,44+,45+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C53H67N9O10S
Molecular Weight	1022.218
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 `Sat Dec 16 08:10:29 UTC 2023` Edited by `admin` on `Sat Dec 16 08:10:29 UTC 2023`
Record UNII	91VAC8654E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUINUPRISTIN MESYLATE

Common Name

English

Quinupristin mesilate [WHO-DD]

Common Name

English

RP-57669 MESYLATE

Code

English

QUINUPRISTIN MESILATE

Common Name

English

Code System Code Type Description

EVMPD

SUB77126