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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H23NO3.C4H4O4
Molecular Weight 742.8538
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BRL-26830A

SMILES

OC(=O)\C=C\C(O)=O.COC(=O)C1=CC=C(C[C@H](C)NC[C@@H](O)C2=CC=CC=C2)C=C1.COC(=O)C3=CC=C(C[C@H](C)NC[C@@H](O)C4=CC=CC=C4)C=C3

InChI

InChIKey=CXIQDZACPYLAAT-ZFNIQRJSSA-N
InChI=1S/2C19H23NO3.C4H4O4/c2*1-14(20-13-18(21)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)19(22)23-2;5-3(6)1-2-4(7)8/h2*3-11,14,18,20-21H,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*14-,18+;/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BRL-26830A
Code English
BRL 26830A
Code English
BRL-26830 hemifumarate salt
Code English
Benzoic acid, 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-, methyl ester, rel-, (2E)-2-butenedioate (2:1)
Systematic Name English
Code System Code Type Description
CAS
87857-42-9
Created by admin on Sat Dec 16 08:14:41 GMT 2023 , Edited by admin on Sat Dec 16 08:14:41 GMT 2023
PRIMARY
PUBCHEM
6438331
Created by admin on Sat Dec 16 08:14:41 GMT 2023 , Edited by admin on Sat Dec 16 08:14:41 GMT 2023
PRIMARY
FDA UNII
3HY5ET7DJX
Created by admin on Sat Dec 16 08:14:41 GMT 2023 , Edited by admin on Sat Dec 16 08:14:41 GMT 2023
PRIMARY