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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H72N8O6
Molecular Weight 1001.2637
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ODALASVIR

SMILES

[H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)C3=NC4=CC=C(C=C4N3)C5=CC6=CC=C5CCC7=CC=C(CC6)C(=C7)C8=CC=C9N=C(NC9=C8)[C@@H]%10C[C@]%11([H])CCCC[C@]%11([H])N%10C(=O)[C@@H](NC(=O)OC)C(C)C

InChI

InChIKey=LSYBRGMTRKJATA-IVEWBXRVSA-N
InChI=1S/C60H72N8O6/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1

HIDE SMILES / InChI

Molecular Formula C60H72N8O6
Molecular Weight 1001.2637
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:45:15 UTC 2023
Edited
by admin
on Sat Dec 16 09:45:15 UTC 2023
Record UNII
OVR52K7BDW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ODALASVIR
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
ODALASVIR [USAN]
Common Name English
DIMETHYL N,N'-(1,4(1,4)-DIBENZENACYCLOHEXAPHANE-12,42-DIYLBIS(1HBENZIMIDAZOLE-5,2-DIYL((2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2,1-DIYL)((2S)-3-METHYL-1-OXOBUTAN-1,2-DIYL)))BISCARBAMATE
Systematic Name English
Odalasvir [WHO-DD]
Common Name English
ACH-3102
Code English
odalasvir [INN]
Common Name English
ACH-0143102
Code English
CARBAMIC ACID, N,N'-(TRICYCLO(8.2.2.24,7)HEXADECA-4,6,10,12,13,15-HEXAENE-5,11-DIYLBIS(1H-BENZIMIDAZOLE-6,2-DIYL((2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2,1-DIYL)((1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL)))BIS-, C,C'-DIMETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
71474517
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
USAN
CD-120
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
EVMPD
SUB179997
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
SMS_ID
100000166047
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
INN
9924
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
FDA UNII
OVR52K7BDW
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
DRUG BANK
DB13041
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
NCI_THESAURUS
C174815
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
ChEMBL
CHEMBL3544977
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
WIKIPEDIA
ACH-3102
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID401032258
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
CAS
1415119-52-6
Created by admin on Sat Dec 16 09:45:15 UTC 2023 , Edited by admin on Sat Dec 16 09:45:15 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
TARGET -> INHIBITOR
TARGET ORGANISM->INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY