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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 of R-337647 choline salt

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

Molecular Formula C5H14NO
Molecular Weight 104.1708
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula C31H33N6O5
Molecular Weight 569.6309
Charge -1
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 Wed Apr 02 21:09:32 GMT 2025
Edited
by admin
on Wed Apr 02 21:09:32 GMT 2025
Record UNII
8WC6M8X8QB
Record Status Validated (UNII)
Record Version
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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
PRIMARY
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
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY