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=C(C=CC=C4)C3=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 ACETATE TRIHYDRATE
Common Name English
ALSTONIDINE ACETYL TRIHYDRATE [MI]
Common Name English
ALSTONIDINE, ACETATE (ESTER), TRIHYDRATE
Common Name English
Code System Code Type Description
MERCK INDEX
m1581
Created by admin on Sat Dec 16 09:16:53 GMT 2023 , Edited by admin on Sat Dec 16 09:16:53 GMT 2023
PRIMARY Merck Index
CAS
25442-92-6
Created by admin on Sat Dec 16 09:16:53 GMT 2023 , Edited by admin on Sat Dec 16 09:16:53 GMT 2023
PRIMARY
PUBCHEM
72710698
Created by admin on Sat Dec 16 09:16:53 GMT 2023 , Edited by admin on Sat Dec 16 09:16:53 GMT 2023
PRIMARY
FDA UNII
05UIS99TWG
Created by admin on Sat Dec 16 09:16:53 GMT 2023 , Edited by admin on Sat Dec 16 09:16:53 GMT 2023
PRIMARY