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Details

Stereochemistry RACEMIC
Molecular Formula C13H17N3.C4H4O4
Molecular Weight 331.3663
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BRL-44408 MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CC1N(CC2=NCCN2)CC3=CC=CC=C13

InChI

InChIKey=DDIQGSUEJOOQQQ-BTJKTKAUSA-N
InChI=1S/C13H17N3.C4H4O4/c1-10-12-5-3-2-4-11(12)8-16(10)9-13-14-6-7-15-13;5-3(6)1-2-4(7)8/h2-5,10H,6-9H2,1H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Approval Year

Name Type Language
BRL-44408 MALEATE
Common Name English
BRL-44408 MALEATE SALT
Common Name English
1H-ISOINDOLE, 2-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)METHYL)-2,3-DIHYDRO-1-METHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
2-(2H-(1-METHYL-1,3-DIHYDROISOINDOLE)METHYL)-4,5-DIHYDROIMIDAZOLE MALEATE SALT
Systematic Name English
Code System Code Type Description
FDA UNII
96KFS04PNM
Created by admin on Sat Dec 16 09:12:04 UTC 2023 , Edited by admin on Sat Dec 16 09:12:04 UTC 2023
PRIMARY
PUBCHEM
10382026
Created by admin on Sat Dec 16 09:12:04 UTC 2023 , Edited by admin on Sat Dec 16 09:12:04 UTC 2023
PRIMARY
CAS
681806-46-2
Created by admin on Sat Dec 16 09:12:04 UTC 2023 , Edited by admin on Sat Dec 16 09:12:04 UTC 2023
PRIMARY