U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26N2O5.3H2O
Molecular Weight 476.5195
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALSTONIDINE ACETATE TRIHYDRATE

SMILES

O.O.O.COC(=O)C1=CO[C@@H](C)[C@H](COC(C)=O)[C@@H]1CC2=C3N(C)C4=CC=CC=C4C3=CC=N2

InChI

InChIKey=MCGHEKJRLIEUIK-HDTQAHQWSA-N
InChI=1S/C24H26N2O5.3H2O/c1-14-19(12-31-15(2)27)18(20(13-30-14)24(28)29-4)11-21-23-17(9-10-25-21)16-7-5-6-8-22(16)26(23)3;;;/h5-10,13-14,18-19H,11-12H2,1-4H3;3*1H2/t14-,18-,19-;;;/m0.../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALSTONIDINE ACETYL TRIHYDRATE [MI]
Preferred Name English
ALSTONIDINE ACETATE TRIHYDRATE
Common Name English
ALSTONIDINE, ACETATE (ESTER), TRIHYDRATE
Common Name English
Code System Code Type Description
MERCK INDEX
m1581
Created by admin on Mon Mar 31 22:36:15 GMT 2025 , Edited by admin on Mon Mar 31 22:36:15 GMT 2025
PRIMARY Merck Index
CAS
25442-92-6
Created by admin on Mon Mar 31 22:36:15 GMT 2025 , Edited by admin on Mon Mar 31 22:36:15 GMT 2025
PRIMARY
PUBCHEM
72710698
Created by admin on Mon Mar 31 22:36:15 GMT 2025 , Edited by admin on Mon Mar 31 22:36:15 GMT 2025
PRIMARY
FDA UNII
05UIS99TWG
Created by admin on Mon Mar 31 22:36:15 GMT 2025 , Edited by admin on Mon Mar 31 22:36:15 GMT 2025
PRIMARY