R-337647 choline salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H33N6O5.C5H14NO
Molecular Weight	673.8017
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)(C)CCO.O=C(CN1N=C(C2CCCCC2)C3=CC=CC=C3N(CC(=O)C4CCCC4)C1=O)NC5=CC=CC(=C5)C6=NC(=O)O[N-]6

InChI

InChIKey=PRNNHQRRGUVNQX-UHFFFAOYSA-M

InChI=1S/C31H34N6O5.C5H14NO/c38-26(20-9-4-5-10-20)18-36-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)34-37(31(36)41)19-27(39)32-23-14-8-13-22(17-23)29-33-30(40)42-35-29;1-6(2,3)4-5-7/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H2,32,33,35,39,40);7H,4-5H2,1-3H3/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

R337647 choline salt

Preferred Name

English

R-337647 choline salt

Code

English

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-N-[3-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepine-3-acetamide (1:1)

Systematic Name

English

Code System Code Type Description

CAS

799775-19-2

Created by admin on Wed Apr 02 21:09:32 GMT 2025 , Edited by admin on Wed Apr 02 21:09:32 GMT 2025

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FDA UNII

8WC6M8X8QB

Created by admin on Wed Apr 02 21:09:32 GMT 2025 , Edited by admin on Wed Apr 02 21:09:32 GMT 2025

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ACTIVE MOIETY