(2R,6S,12Z,13AS,14AR,16AS)-6-AMINO-N-(CYCLOPROPYLSULFONYL)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-2-(6-PHENANTHRIDINYLOXY)CYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H39N5O6S
Molecular Weight	645.768
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R,6S,12Z,13AS,14AR,16AS)-6-AMINO-N-(CYCLOPROPYLSULFONYL)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-2-(6-PHENANTHRIDINYLOXY)CYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE

Structure Search

SMILES

N[C@H]1CCCCCC=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=NC5=CC=CC=C5C6=CC=CC=C46)C(=O)NS(=O)(=O)C7CC7

InChI

InChIKey=UEQVJFQFVZTHRQ-QXJUTLRNSA-N

InChI=1S/C34H39N5O6S/c35-27-14-5-3-1-2-4-10-21-19-34(21,33(42)38-46(43,44)23-16-17-23)37-30(40)29-18-22(20-39(29)32(27)41)45-31-26-13-7-6-11-24(26)25-12-8-9-15-28(25)36-31/h4,6-13,15,21-23,27,29H,1-3,5,14,16-20,35H2,(H,37,40)(H,38,42)/b10-4-/t21-,22-,27+,29+,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H39N5O6S
Molecular Weight	645.768
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 01:38:53 GMT 2025` Edited by `admin` on `Wed Apr 02 01:38:53 GMT 2025`
Record UNII	3F687PS65V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PARITAPREVIR METABOLITE M25

Preferred Name

English

(2R,6S,12Z,13AS,14AR,16AS)-6-AMINO-N-(CYCLOPROPYLSULFONYL)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-2-(6-PHENANTHRIDINYLOXY)CYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE

Systematic Name

English

CYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE, 6-AMINO-N-(CYCLOPROPYLSULFONYL)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-2-(6-PHENANTHRIDINYLOXY)-, (2R,6S,12Z,13AS,14AR,16AS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

3F687PS65V

Created by admin on Wed Apr 02 01:38:53 GMT 2025 , Edited by admin on Wed Apr 02 01:38:53 GMT 2025

PRIMARY

PUBCHEM

68499876

Created by admin on Wed Apr 02 01:38:53 GMT 2025 , Edited by admin on Wed Apr 02 01:38:53 GMT 2025

PRIMARY

CAS

1217170-73-4

Created by admin on Wed Apr 02 01:38:53 GMT 2025 , Edited by admin on Wed Apr 02 01:38:53 GMT 2025

PRIMARY

Related Record Type Details


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PARITAPREVIR

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Qualification:

FECAL; URINE

Amount: