TA-5538

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28F7N3O4
Molecular Weight	579.507
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)N2CC[C@@H](C[C@@H]2C3=CC=C(F)C=C3C)OC(=O)NCCO

InChI

InChIKey=GSMKNGDRNQAABY-RBBKRZOGSA-N

InChI=1S/C26H28F7N3O4/c1-15-9-19(27)3-4-21(15)22-13-20(40-23(38)34-6-8-37)5-7-36(22)24(39)35(2)14-16-10-17(25(28,29)30)12-18(11-16)26(31,32)33/h3-4,9-12,20,22,37H,5-8,13-14H2,1-2H3,(H,34,38)/t20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H28F7N3O4
Molecular Weight	579.507
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:25:08 GMT 2025` Edited by `admin` on `Wed Apr 02 18:25:08 GMT 2025`
Record UNII	AYU4834BVR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TA-5538

Code

English

(2R,4S)-1-[[[[3,5-Bis(trifluoromethyl)phenyl]methyl]methylamino]carbonyl]-2-(4-fluoro-2-methylphenyl)-4-piperidinyl N-(2-hydroxyethyl)carbamate (ACI) Carbamic acid, (2-hydroxyethyl)-, (2R,4S)-1-[[[[3,5-bis(trifluoromethyl)phenyl]methyl]methylamino]carbon

Preferred Name

English

Carbamic acid, N-(2-hydroxyethyl)-, (2R,4S)-1-[[[[3,5-bis(trifluoromethyl)phenyl]methyl]methylamino]carbonyl]-2-(4-fluoro-2-methylphenyl)-4-piperidinyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

AYU4834BVR

Created by admin on Wed Apr 02 18:25:08 GMT 2025 , Edited by admin on Wed Apr 02 18:25:08 GMT 2025

PRIMARY

PUBCHEM

11192477

Created by admin on Wed Apr 02 18:25:08 GMT 2025 , Edited by admin on Wed Apr 02 18:25:08 GMT 2025

PRIMARY

CAS

629921-36-4

Created by admin on Wed Apr 02 18:25:08 GMT 2025 , Edited by admin on Wed Apr 02 18:25:08 GMT 2025

PRIMARY

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SUBSTANCE-P RECEPTOR

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					AYU4834BVR

TA-5538

ACTIVE MOIETY

Comments:

Tested for treatment of overactive bladder.

Amount: