O-DESMETHYL PIBRENTASVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H63F5N10O8
Molecular Weight	1099.1536
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C2=NC3=CC([C@H]4CC[C@@H](N4C5=CC(F)=C(N6CCC(CC6)C7=CC=C(F)C=C7)C(F)=C5)C8=C(F)C=C9NC(=NC9=C8)[C@@H]%10CCCN%10C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)=C(F)C=C3N2

InChI

InChIKey=AHAMVGFSAJASAT-STNFNTAQSA-N

InChI=1S/C56H63F5N10O8/c1-28(72)48(66-55(75)78-4)53(73)69-18-6-8-46(69)51-62-40-24-34(36(58)26-42(40)64-51)44-14-15-45(71(44)33-22-38(60)50(39(61)23-33)68-20-16-31(17-21-68)30-10-12-32(57)13-11-30)35-25-41-43(27-37(35)59)65-52(63-41)47-9-7-19-70(47)54(74)49(29(2)77-3)67-56(76)79-5/h10-13,22-29,31,44-49,72H,6-9,14-21H2,1-5H3,(H,62,64)(H,63,65)(H,66,75)(H,67,76)/t28-,29-,44-,45-,46+,47+,48+,49+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C56H63F5N10O8
Molecular Weight	1099.1536
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 14:08:54 UTC 2023` Edited by `admin` on `Sat Dec 16 14:08:54 UTC 2023`
Record UNII	UF714AA4Y7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-DESMETHYL PIBRENTASVIR

Common Name

English

PIBRENTASVIR METABOLITE M4

Common Name

English

METHYL ((2S,3R)-1-((S)-2-(5-((2R,5R)-1-(3,5-DIFLUORO-4-(4-(4-FLUOROPHENYL)PIPERIDIN-1-YL)PHENYL)-5-(6-FLUORO-2-((S)-1-(N-(METHOXYCARBONYL)-O-METHYL-L-THREONYL)PYRROLIDIN-2-YL)-1H-BENZO(D)IMIDAZOL-5-YL)PYRROLIDIN-2-YL)-6-FLUORO-1H-BENZO(D)IMIDAZOL-2-YL)PY

Systematic Name

English

Code System Code Type Description

FDA UNII

UF714AA4Y7

Created by admin on Sat Dec 16 14:08:54 UTC 2023 , Edited by admin on Sat Dec 16 14:08:54 UTC 2023

PRIMARY

PUBCHEM

133083163

Created by admin on Sat Dec 16 14:08:54 UTC 2023 , Edited by admin on Sat Dec 16 14:08:54 UTC 2023

PRIMARY

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PIBRENTASVIR

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