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Details

Stereochemistry ABSOLUTE
Molecular Formula C50H67N7O8
Molecular Weight 894.1091
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OMBITASVIR

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C=C5

InChI

InChIKey=PIDFDZJZLOTZTM-KHVQSSSXSA-N
InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1

HIDE SMILES / InChI
Molecular Formula C50H67N7O8
Molecular Weight 894.1091
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:40:11 UTC 2023
Edited
by admin
on Sat Dec 16 08:40:11 UTC 2023
Record UNII
2302768XJ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OMBITASVIR
DASH   INN   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
ombitasvir [INN]
Common Name English
OMBITASVIR [MI]
Common Name English
OMBITASVIR [VANDF]
Common Name English
Ombitasvir [WHO-DD]
Common Name English
OMBITASVIR [ORANGE BOOK]
Common Name English
VIEKIRAX COMPONENT OMBITASVIR
Brand Name English
ABT-267
Code English
CARBAMIC ACID, N,N'-(((2S,5S)-1-(4-(1,1-DIMETHYLETHYL)PHENYL)-2,5-PYRROLIDINEDIYL)BIS(4,1-PHENYLENEIMINOCARBONYL-(2S)-2,1-PYRROLIDINEDIYL((1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL)))BIS-, C,C'-DIMETHYL ESTER
Systematic Name English
OMBITASVIR [USAN]
Common Name English
OMBITASVIR COMPONENT OF VIEKIRAX
Brand Name English
Classification Tree Code System Code
WHO-ATC J05AP53
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
WHO-ATC J05AX67
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
FDA ORPHAN DRUG 484715
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
NCI_THESAURUS C281
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
WHO-ATC J05AP52
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
EMA ASSESSMENT REPORTS VIEKIRAX (AUTHORIZED: HEPATITIS C, CHRONIC)
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
FDA ORPHAN DRUG 509215
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
NDF-RT N0000191256
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
Code System Code Type Description
SMS_ID
100000156930
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
PUBCHEM
54767916
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
DRUG CENTRAL
4912
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
NCI_THESAURUS
C123878
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
RXCUI
1597371
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY RxNorm
FDA UNII
2302768XJ8
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
DRUG BANK
DB09296
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
WIKIPEDIA
Ombitasvir
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
USAN
BC-07
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
LACTMED
Ombitasvir
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
EVMPD
SUB131058
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
NDF-RT
N0000191272
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY UGT1A1 Inhibitors [MoA]
MERCK INDEX
m11829
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
INN
9740
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
ChEMBL
CHEMBL3127326
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID201027920
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
CAS
1258226-87-7
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
CHEBI
85183
Created by admin on Sat Dec 16 08:40:11 UTC 2023 , Edited by admin on Sat Dec 16 08:40:11 UTC 2023
PRIMARY
Related Record Type Details
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
Structure of OMBITASVIR
EXCRETED UNCHANGED
URINE
Structure of OMBITASVIR
EXCRETED UNCHANGED
FECAL
Structure of OMBITASVIR HEMINONAHYDRATE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of 4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)-1-PYRROLIDINYL)-.BETA.,.BETA.-DIMETHYLBENZENEETHANOL
METABOLITE -> PARENT
Structure of 1-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)-2-HYDROXYETHANONE
METABOLITE -> PARENT
Structure of N-(METHOXYCARBONYL)-L-VALYL-N-(4-((2S,5S)-5-(4-AMINOPHENYL)-1-(4-(1,1-DIMETHYLETHYL)PHENYL)-2-PYRROLIDINYL)PHENYL)-L-PROLINAMIDE
METABOLITE -> PARENT
Structure of 2-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)PROPAN-2-OL
METABOLITE -> PARENT
Structure of A-1246485
METABOLITE -> PARENT
Structure of 2-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)-2-METHYLPROPANE-1,3-DIOL
METABOLITE -> PARENT
Structure of A-1242846
METABOLITE -> PARENT
Structure of 2-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)-2-METHYLPROPANOIC ACID
METABOLITE -> PARENT
Structure of 2-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)PROPANE-1,2-DIOL
METABOLITE -> PARENT
Structure of 4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)BENZOIC ACID
METABOLITE -> PARENT
Structure of A-1543706
METABOLITE -> PARENT
Structure of N-(METHOXYCARBONYL)VALYLPROLINE
METABOLITE -> PARENT
Related Record Type Details
Structure of OMBITASVIR
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
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