AHR-16303B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H35F2NO3.C2H2O4
Molecular Weight	597.6462
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(O)=O.CC(C)C(=O)C1=CC=C(OCCCN2CCC(CC2)C(O)(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4)C=C1

InChI

InChIKey=IJLRCTPQUZWJSL-UHFFFAOYSA-N

InChI=1S/C31H35F2NO3.C2H2O4/c1-22(2)30(35)23-4-14-29(15-5-23)37-21-3-18-34-19-16-26(17-20-34)31(36,24-6-10-27(32)11-7-24)25-8-12-28(33)13-9-25;3-1(4)2(5)6/h4-15,22,26,36H,3,16-21H2,1-2H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula	C2H2O4
Molecular Weight	90.0349
Charge	0
Count

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

Molecular Formula	C31H35F2NO3
Molecular Weight	507.6113
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 08:55:46 GMT 2023` Edited by `admin` on `Sat Dec 16 08:55:46 GMT 2023`
Record UNII	VEZ9SN7B9N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AHR-16303B

Code

English

1-PROPANONE, 1-(4-(3-(4-(BIS(4-FLUOROPHENYL)HYDROXYMETHYL)-1-PIPERIDINYL)PROPOXY)PHENYL)-2-METHYL-, ETHANEDIOATE (1:1)

Systematic Name

English

1-(4-(3-(4-(BIS(4-FLUOROPHENYL)(HYDROXY)METHYL)PIPERIDIN-1-YL)PROPOXY)PHENYL)-2-METHYLPROPAN-1-ONE; OXALIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

VEZ9SN7B9N

Created by admin on Sat Dec 16 08:55:46 GMT 2023 , Edited by admin on Sat Dec 16 08:55:46 GMT 2023

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CAS

117023-62-8

Created by admin on Sat Dec 16 08:55:46 GMT 2023 , Edited by admin on Sat Dec 16 08:55:46 GMT 2023

PRIMARY

EPA CompTox

DTXSID80151685

Created by admin on Sat Dec 16 08:55:46 GMT 2023 , Edited by admin on Sat Dec 16 08:55:46 GMT 2023

PRIMARY

PUBCHEM

183770

Created by admin on Sat Dec 16 08:55:46 GMT 2023 , Edited by admin on Sat Dec 16 08:55:46 GMT 2023

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Related Record Type Details


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AHR-16303

PARENT -> SALT/SOLVATE

Amount: