LENACAPAVIR SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H31ClF10N7O5S2.Na
Molecular Weight	990.264
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@]12C[C@@]1([H])C(F)(F)C3=C2C(=NN3CC(=O)N[C@@H](CC4=CC(F)=CC(F)=C4)C5=NC(=CC=C5C6=CC=C(Cl)C7=C6N(CC(F)(F)F)N=C7[N-]S(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F

InChI

InChIKey=SSXPGMNGIORJAQ-PZNXWHLTSA-M

InChI=1S/C39H32ClF10N7O5S2.Na/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47;/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H2,52,54,55,58);/q;+1/p-1/t24-,25+,27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C39H31ClF10N7O5S2
Molecular Weight	967.274
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 18:25:40 UTC 2023` Edited by `admin` on `Sat Dec 16 18:25:40 UTC 2023`
Record UNII	BDT58WJ9WE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LENACAPAVIR SODIUM

Official Name

English

GS-6207-02

Code

English

SUNLENCA

Brand Name

English

N-((1S)-1-(3-(4-CHLORO-3-(METHANESULFONAMIDO)-1-(2,2,2-TRIFLUOROETHYL)-1H-INDAZOL-7-YL)-6-(3-(METHANESULFONYL)-3-METHYLBUT-1-YN-1-YL)PYRIDIN-2-YL)-2-(3,5-DIFLUOROPHENYL)ETHYL)-2-((3BS,4AR)-5,5-DIFLUORO-3-(TRIFLUOROMETHYL)-3B,4,4A,5-TETRAHYDRO1H-CYCLOPROP

Common Name

English

GS-HIV SODIUM

Code

English

1H-CYCLOPROPA(3,4)CYCLOPENTA(1,2-C)PYRAZOLE-1-ACETAMIDE, N-((1S)-1-(3-(4-CHLORO-3-((METHYLSULFONYL)AMINO)-1-(2,2,2-TRIFLUOROETHYL)-1H-INDAZOL-7-YL)-6-(3-METHYL-3-(METHYLSULFONYL)-1-BUTYN-1-YL)-2-PYRIDINYL)-2-(3,5-DIFLUOROPHENYL)ETHYL)-5,5-DIFLUORO-3B,4,4

Systematic Name

English

LENACAPAVIR SODIUM [USAN]

Common Name

English

Code System Code Type Description

FDA UNII

BDT58WJ9WE