N-(2-((2S)-3-((1-((4-CHLOROPHENYL)METHYL)PIPERIDIN-4-YL)AMINO)-2-HYDROXY-2-METHYLPROPOXY)-4-HYDROXYPHENYL)ACETAMIDE BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H32ClN3O4.C7H6O2
Molecular Weight	584.103
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(2-((2S)-3-((1-((4-CHLOROPHENYL)METHYL)PIPERIDIN-4-YL)AMINO)-2-HYDROXY-2-METHYLPROPOXY)-4-HYDROXYPHENYL)ACETAMIDE BENZOATE

Structure Search

SMILES

OC(=O)C1=CC=CC=C1.CC(=O)NC2=C(OC[C@@](C)(O)CNC3CCN(CC4=CC=C(Cl)C=C4)CC3)C=C(O)C=C2

InChI

InChIKey=LCTMAHFRKVWVOS-JIDHJSLPSA-N

InChI=1S/C24H32ClN3O4.C7H6O2/c1-17(29)27-22-8-7-21(30)13-23(22)32-16-24(2,31)15-26-20-9-11-28(12-10-20)14-18-3-5-19(25)6-4-18;8-7(9)6-4-2-1-3-5-6/h3-8,13,20,26,30-31H,9-12,14-16H2,1-2H3,(H,27,29);1-5H,(H,8,9)/t24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C24H32ClN3O4
Molecular Weight	461.982
Charge	0
Count

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

Molecular Formula	C7H6O2
Molecular Weight	122.1213
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:03:18 GMT 2023` Edited by `admin` on `Sat Dec 16 15:03:18 GMT 2023`
Record UNII	S4HPD2BM8M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(2-((2S)-3-((1-((4-CHLOROPHENYL)METHYL)PIPERIDIN-4-YL)AMINO)-2-HYDROXY-2-METHYLPROPOXY)-4-HYDROXYPHENYL)ACETAMIDE BENZOATE

Systematic Name

English

ACETAMIDE, N-(2-((2S)-3-((1-((4-CHLOROPHENYL)METHYL)-4-PIPERIDINYL)AMINO)-2-HYDROXY-2-METHYLPROPOXY)-4-HYDROXYPHENYL)-, BENZOATE (1:1)

Systematic Name

English

BENZOIC ACID; N-(2-((2S)-3-((1-((4-CHLOROPHENYL)METHYL)-4-PIPERIDYL)AMINO)-2-HYDROXY-2-METHYL-PROPOXY)-4-HYDROXY-PHENYL)ACETAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

S4HPD2BM8M

Created by admin on Sat Dec 16 15:03:18 GMT 2023 , Edited by admin on Sat Dec 16 15:03:18 GMT 2023

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PUBCHEM

15940251

Created by admin on Sat Dec 16 15:03:18 GMT 2023 , Edited by admin on Sat Dec 16 15:03:18 GMT 2023

PRIMARY

CAS

923276-31-7

Created by admin on Sat Dec 16 15:03:18 GMT 2023 , Edited by admin on Sat Dec 16 15:03:18 GMT 2023

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