U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H32ClF10N7O5S2
Molecular Weight 968.2859
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LENACAPAVIR

SMILES

CC(C)(C#Cc1ccc(-c2ccc(c3c2n(CC(F)(F)F)nc3NS(=O)(=O)C)Cl)c([C@]([H])(Cc4cc(cc(c4)F)F)N=C(Cn5c6c([C@@]7([H])C[C@@]7([H])C6(F)F)c(C(F)(F)F)n5)O)n1)S(=O)(=O)C

InChI

InChIKey=BRYXUCLEHAUSDY-WEWMWRJBSA-N
InChI=1S/C39H32ClF10N7O5S2/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,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H32ClF10N7O5S2
Molecular Weight 968.2859
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:26:25 UTC 2021
Edited
by admin
on Sat Jun 26 15:26:25 UTC 2021
Record UNII
A9A0O6FB4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GS-CA1
Preferred Name English
LENACAPAVIR
INN  
Official Name English
LENACAPAVIR [INN]
Common Name English
LENACAPAVIR [WHO-DD]
Common Name English
Code System Code Type Description
INN
11108
Created by admin on Sat Jun 26 15:26:25 UTC 2021 , Edited by admin on Sat Jun 26 15:26:25 UTC 2021
PRIMARY
PUBCHEM
133082658
Created by admin on Sat Jun 26 15:26:25 UTC 2021 , Edited by admin on Sat Jun 26 15:26:25 UTC 2021
PRIMARY
DRUG BANK
DB15673
Created by admin on Sat Jun 26 15:26:25 UTC 2021 , Edited by admin on Sat Jun 26 15:26:25 UTC 2021
PRIMARY
NCI_THESAURUS
C174616
Created by admin on Sat Jun 26 15:26:25 UTC 2021 , Edited by admin on Sat Jun 26 15:26:25 UTC 2021
PRIMARY
FDA UNII
A9A0O6FB4H
Created by admin on Sat Jun 26 15:26:25 UTC 2021 , Edited by admin on Sat Jun 26 15:26:25 UTC 2021
PRIMARY
CAS
2189684-44-2
Created by admin on Sat Jun 26 15:26:25 UTC 2021 , Edited by admin on Sat Jun 26 15:26:25 UTC 2021
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY