PD123319 ditrifluoroacetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H32N4O3.2C2HF3O2
Molecular Weight	736.6575
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PD123319 ditrifluoroacetate

Structure Search

SMILES

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)C1=C(C)C=C(CN2C=NC3=C2C[C@H](N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(O)=O)C=C1

InChI

InChIKey=GPKQIEZLHVGJQH-ZXVJYWQYSA-N

InChI=1S/C31H32N4O3.2C2HF3O2/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24;2*3-2(4,5)1(6)7/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38);2*(H,6,7)/t28-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
Count

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

Molecular Formula	C31H32N4O3
Molecular Weight	508.6108
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 `Wed Apr 02 19:08:09 GMT 2025` Edited by `admin` on `Wed Apr 02 19:08:09 GMT 2025`
Record UNII	BW68Q83S6K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PD123319 ditrifluoroacetate

Common Name

English

PD-123319 ditrifluoroacetate

Preferred Name

English

1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-, (S)-, bis(trifluoroacetate)

Systematic Name

English

1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-, (6S)-, 2,2,2-trifluoroacetate (1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

6604951

Created by admin on Wed Apr 02 19:08:09 GMT 2025 , Edited by admin on Wed Apr 02 19:08:09 GMT 2025

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CAS

136676-91-0

Created by admin on Wed Apr 02 19:08:09 GMT 2025 , Edited by admin on Wed Apr 02 19:08:09 GMT 2025

PRIMARY

FDA UNII

BW68Q83S6K

Created by admin on Wed Apr 02 19:08:09 GMT 2025 , Edited by admin on Wed Apr 02 19:08:09 GMT 2025

PRIMARY

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