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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H29NO3.C6H8O7
Molecular Weight 499.5513
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTAMIRATE CITRATE, (R)-

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CC[C@@H](C(=O)OCCOCCN(CC)CC)C1=CC=CC=C1

InChI

InChIKey=JVKMHUAWFDGPTF-UNTBIKODSA-N
InChI=1S/C18H29NO3.C6H8O7/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,17H,4-6,12-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t17-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BUTAMIRATE CITRATE, (R)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-ETHYL-, 2-(2-(DIETHYLAMINO)ETHOXY)ETHYL ESTER, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1), (R)-
Systematic Name English
HH 197, (R)-
Code English
ABBOTT 36581, (R)-
Code English
Code System Code Type Description
FDA UNII
DV28EGS2QW
Created by admin on Sat Dec 16 10:22:12 GMT 2023 , Edited by admin on Sat Dec 16 10:22:12 GMT 2023
PRIMARY
PUBCHEM
76960530
Created by admin on Sat Dec 16 10:22:12 GMT 2023 , Edited by admin on Sat Dec 16 10:22:12 GMT 2023
PRIMARY