APT-101 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H31F5N4O3.ClH
Molecular Weight	579.002
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.OC(=O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)C2=NN(C3CCCC3)C(=C2)C4=CC=CC=C4C(F)(F)F

InChI

InChIKey=GTOFXPLYLSANBP-LMOVPXPDSA-N

InChI=1S/C26H31F5N4O3.ClH/c27-25(28)11-5-12-34(16-25)13-10-17(14-23(36)37)32-24(38)21-15-22(35(33-21)18-6-1-2-7-18)19-8-3-4-9-20(19)26(29,30)31;/h3-4,8-9,15,17-18H,1-2,5-7,10-14,16H2,(H,32,38)(H,36,37);1H/t17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C26H31F5N4O3
Molecular Weight	542.5414
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 `Sat Dec 16 19:33:04 GMT 2023` Edited by `admin` on `Sat Dec 16 19:33:04 GMT 2023`
Record UNII	NB264L4WZU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APT-101 HYDROCHLORIDE

Common Name

English

(S)-3-(1-Cyclopentyl-5-(2-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxamido)-5-(3,3-difluoropiperidin-1-yl)pentanoic acid hydrochloride

Systematic Name

English

1-Piperidinepentanoic acid, β-[[[1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]-3,3-difluoro-, hydrochloride (1:1), (βS)-

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

865821