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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20N2O3
Molecular Weight 348.3951
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALSTONINE

SMILES

[H][C@@]12C[N+]3=C(C[C@]1([H])C(=CO[C@H]2C)C(=O)OC)C4=C(C=C3)C5=C([N-]4)C=CC=C5

InChI

InChIKey=WYTGDNHDOZPMIW-RCBQFDQVSA-N
InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20N2O3
Molecular Weight 348.3951
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:16:53 GMT 2023
Edited
by admin
on Sat Dec 16 09:16:53 GMT 2023
Record UNII
SB0M27Q90X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALSTONINE
MI  
Common Name English
ALSTONINE, HYDROXIDE, INNER SALT
Common Name English
ALSTONINE [MI]
Common Name English
OXAYOHIMBANIUM, 3,4,5,6,16,17-HEXADEHYDRO-16-(METHOXYCARBONYL)-19-METHYL-, INNER SALT, (19.ALPHA.,20.ALPHA.)-
Common Name English
Code System Code Type Description
WIKIPEDIA
Alstonine
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
441979
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
SB0M27Q90X
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
CAS
642-18-2
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
CHEBI
2612
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
EPA CompTox
DTXSID201115727
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
m1582
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
CHEBI
142530
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