3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one, (2R,3S)-rel-

Details

Stereochemistry	RACEMIC
Molecular Formula	C30H34ClNO2
Molecular Weight	476.049
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one, (2R,3S)-rel-

Structure Search

SMILES

CC(C)[C@@H]([C@@H](C(=O)C1=CC=C(OCCN2CCCC2)C=C1)C3=CC=CC=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=YLSBKWISHJPURH-WDYNHAJCSA-N

InChI=1S/C30H34ClNO2/c1-22(2)28(24-10-14-26(31)15-11-24)29(23-8-4-3-5-9-23)30(33)25-12-16-27(17-13-25)34-21-20-32-18-6-7-19-32/h3-5,8-17,22,28-29H,6-7,18-21H2,1-2H3/t28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H34ClNO2
Molecular Weight	476.049
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 `Mon Mar 31 22:41:11 GMT 2025` Edited by `admin` on `Mon Mar 31 22:41:11 GMT 2025`
Record UNII	X4JW9V4QLZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one, (2R,3S)-rel-

Systematic Name

English

VALEROPHENONE, 3-(P-CHLOROPHENYL)-4-METHYL-2-PHENYL-4'-(2-(1-PYRROLIDINYL)ETHOXY)-, ERYTHRO-

Preferred Name

English

1-Pentanone, 3-(4-chlorophenyl)-4-methyl-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (R*,S*)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

207968

Created by admin on Mon Mar 31 22:41:11 GMT 2025 , Edited by admin on Mon Mar 31 22:41:11 GMT 2025

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EPA CompTox

DTXSID90185234

Created by admin on Mon Mar 31 22:41:11 GMT 2025 , Edited by admin on Mon Mar 31 22:41:11 GMT 2025

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CAS

31301-21-0

Created by admin on Mon Mar 31 22:41:11 GMT 2025 , Edited by admin on Mon Mar 31 22:41:11 GMT 2025

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FDA UNII

X4JW9V4QLZ

Created by admin on Mon Mar 31 22:41:11 GMT 2025 , Edited by admin on Mon Mar 31 22:41:11 GMT 2025

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