AFACIFENACIN SESQUIFUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C27H26F3N3O2.3C4H4O4
Molecular Weight	1311.2354
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of AFACIFENACIN SESQUIFUMARATE

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.FC(F)(F)OC1=CC(CN2CCC(CC2)N3[C@@H](C4=CC=CC=C4)C5=C(NC3=O)C=CC=C5)=CC=C1.FC(F)(F)OC6=CC(CN7CCC(CC7)N8[C@@H](C9=CC=CC=C9)C%10=C(NC8=O)C=CC=C%10)=CC=C6

InChI

InChIKey=WOIRJIDJKVWHJX-CVZQVWBPSA-N

InChI=1S/2C27H26F3N3O2.3C4H4O4/c2*28-27(29,30)35-22-10-6-7-19(17-22)18-32-15-13-21(14-16-32)33-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)31-26(33)34;3*5-3(6)1-2-4(7)8/h2*1-12,17,21,25H,13-16,18H2,(H,31,34);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*25-;;;/m00.../s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C27H26F3N3O2
Molecular Weight	481.5094
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:47:00 UTC 2023` Edited by `admin` on `Fri Dec 15 15:47:00 UTC 2023`
Record UNII	V6IS459I5G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AFACIFENACIN SESQUIFUMARATE

Common Name

English

2(1H)-QUINAZOLINONE, 3,4-DIHYDRO-4-PHENYL-3-(1-((3-(TRIFLUOROMETHOXY)PHENYL)METHYL)-4-PIPERIDINYL)-, (4S)-, (2E)-2-BUTENEDIOATE (2:3)

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082921

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

CAS

500593-73-7

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

FDA UNII

V6IS459I5G

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

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