Fipravirimat Mesylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H67FN2O4S.CH4O3S
Molecular Weight	823.172
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.[H][C@]12[C@@H](CC[C@@]1(CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@]5([H])CC[C@@]34C)NCCN7CCS(=O)(=O)CC7)C(C)=C

InChI

InChIKey=KZPYHBDXQJFELM-IZWZCXDRSA-N

InChI=1S/C43H67FN2O4S.CH4O3S/c1-29(2)31-12-19-43(45-22-23-46-24-26-51(49,50)27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48;1-5(2,3)4/h10,13,31,33-36,45H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48);1H3,(H,2,3,4)/t31-,33+,34-,35+,36+,39-,40+,41+,42+,43-;/m0./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	C43H67FN2O4S
Molecular Weight	727.066
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:14:13 UTC 2023` Edited by `admin` on `Sat Dec 16 14:14:13 UTC 2023`
Record UNII	Q4P951LI56
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Fipravirimat Mesylate

Official Name

English

FIPRAVIRIMAT MESYLATE [USAN]

Common Name

English

GSK3640254D

Code

English

3-Cyclohexene-1-carboxylic acid, 4-[17-[[2-(1,1-dioxido-4-thiomorpholinyl)ethyl]amino]-28-norlupa-2,20(29)-dien-3-yl]-1-(fluoromethyl)-, (1R)-, methanesulfonate (1:1)

Systematic Name

English

(R)-1-FLUOROMETHYL-4-(17-((2-(1,1- DIOXIDOTHIOMORPHOLINO)ETHYL)AMINO)-28-NORLUPA- 2,20(29)-DIENYL)-CYCLOHEX-3-ENE-1-CARBOXYLIC ACID METHANESULFONATE

Systematic Name

English

GSK3640254 MESYLATE

Code

English

GSK-3640254D

Code

English

GSK-3640254 MESYLATE

Code

English

Code System Code Type Description

NCI_THESAURUS

C199051