DUP-532 DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H19F5N6O2.2H2O
Molecular Weight	542.4585
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(C=CC=C3)C4=NN=NN4)C(O)=O)C(F)(F)C(F)(F)F

InChI

InChIKey=RRBSKULYGTVHIN-UHFFFAOYSA-N

InChI=1S/C23H19F5N6O2.2H2O/c1-2-5-17-29-19(22(24,25)23(26,27)28)18(21(35)36)34(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)20-30-32-33-31-20;;/h3-4,6-11H,2,5,12H2,1H3,(H,35,36)(H,30,31,32,33);2*1H2

HIDE SMILES / InChI

Molecular Formula	C23H19F5N6O2
Molecular Weight	506.428
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
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 15:33:38 UTC 2023` Edited by `admin` on `Sat Dec 16 15:33:38 UTC 2023`
Record UNII	M4VGE0A9MK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DUP-532 DIHYDRATE

Common Name

English

L-694,492 DIHYDRATE

Code

English

2-PROPYL-4-PENTAFLUOROETHYL-1-((2-(1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL)IMIDAZOLE-5-CARBOXYLIC ACID DIHYDRATE

Systematic Name

English

L-694492 DIHYDRATE

Code

English

4-(PENTAFLUOROETHYL)-2-N-PROPYL-1-(2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YL)METHYL)IMIDAZOLE-5-CARBOXYLIC ACID DIHYDRATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

146019595

Created by admin on Sat Dec 16 15:33:38 UTC 2023 , Edited by admin on Sat Dec 16 15:33:38 UTC 2023

PRIMARY

FDA UNII

M4VGE0A9MK

Created by admin on Sat Dec 16 15:33:38 UTC 2023 , Edited by admin on Sat Dec 16 15:33:38 UTC 2023

PRIMARY

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