MODIPAFANT, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C34H29ClN6O3
Molecular Weight	605.085
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C1=C(NC(C)=C(C1C2=CC=CC=C2Cl)C(=O)NC3=NC=CC=C3)C4=CC=C(C=C4)N5C(C)=NC6=C5C=CN=C6

InChI

InChIKey=ODRYSCQFUGFOSU-UHFFFAOYSA-N

InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,30,38H,4H2,1-3H3,(H,37,40,42)

HIDE SMILES / InChI

Molecular Formula	C34H29ClN6O3
Molecular Weight	605.085
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 `Sat Dec 16 12:19:25 GMT 2023` Edited by `admin` on `Sat Dec 16 12:19:25 GMT 2023`
Record UNII	3QK4U86953
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MODIPAFANT, (±)-

Common Name

English

3-PYRIDINECARBOXYLIC ACID, 4-(2-CHLOROPHENYL)-1,4-DIHYDRO-6-METHYL-2-(4-(2-METHYL-1H-IMIDAZO(4,5-C)PYRIDIN-1-YL)PHENYL)-5-((2-PYRIDINYLAMINO)CARBONYL)-, ETHYL ESTER

Systematic Name

English

UK-74505

Code

English

Code System Code Type Description

PUBCHEM

129796

Created by admin on Sat Dec 16 12:19:25 GMT 2023 , Edited by admin on Sat Dec 16 12:19:25 GMT 2023

PRIMARY

EPA CompTox

DTXSID10924329

Created by admin on Sat Dec 16 12:19:25 GMT 2023 , Edited by admin on Sat Dec 16 12:19:25 GMT 2023

PRIMARY

CAS

122956-68-7

Created by admin on Sat Dec 16 12:19:25 GMT 2023 , Edited by admin on Sat Dec 16 12:19:25 GMT 2023

PRIMARY

FDA UNII

3QK4U86953

Created by admin on Sat Dec 16 12:19:25 GMT 2023 , Edited by admin on Sat Dec 16 12:19:25 GMT 2023

PRIMARY

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