AHR-5333 MANDELATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C30H33F2NO4.C8H8O3
Molecular Weight	661.7314
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(C(O)=O)C1=CC=CC=C1.COC2=CC(=CC=C2OCCCN3CCC(CC3)C(O)(C4=CC=C(F)C=C4)C5=CC=C(F)C=C5)C(C)=O

InChI

InChIKey=CFGSQJHZJYGYQO-UHFFFAOYSA-N

InChI=1S/C30H33F2NO4.C8H8O3/c1-21(34)22-4-13-28(29(20-22)36-2)37-19-3-16-33-17-14-25(15-18-33)30(35,23-5-9-26(31)10-6-23)24-7-11-27(32)12-8-24;9-7(8(10)11)6-4-2-1-3-5-6/h4-13,20,25,35H,3,14-19H2,1-2H3;1-5,7,9H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C30H33F2NO4
Molecular Weight	509.5841
Charge	0
Count

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

Molecular Formula	C8H8O3
Molecular Weight	152.1473
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:50:56 GMT 2025` Edited by `admin` on `Mon Mar 31 17:50:56 GMT 2025`
Record UNII	MNL7OP05EX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENEACETIC ACID, .ALPHA.-HYDROXY-, COMPD. WITH 1-(4-(3-(4-(BIS(4-FLUOROPHENYL)HYDROXYMETHYL)-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)ETHANONE (1:1)

Preferred Name

English

AHR-5333 MANDELATE

Code

English

ETHANONE, 1-(4-(3-(4-(BIS(4-FLUOROPHENYL)HYDROXYMETHYL)-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)-, .ALPHA.-HYDROXYBENZENEACETATE (SALT)

Systematic Name

English

Code System Code Type Description

FDA UNII

MNL7OP05EX

Created by admin on Mon Mar 31 17:50:56 GMT 2025 , Edited by admin on Mon Mar 31 17:50:56 GMT 2025

PRIMARY

PUBCHEM

6918063

Created by admin on Mon Mar 31 17:50:56 GMT 2025 , Edited by admin on Mon Mar 31 17:50:56 GMT 2025

PRIMARY

CAS

128766-12-1

Created by admin on Mon Mar 31 17:50:56 GMT 2025 , Edited by admin on Mon Mar 31 17:50:56 GMT 2025

PRIMARY

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ACTIVE MOIETY