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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N2O3
Molecular Weight 352.4269
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRAHYDROALSTONINE

SMILES

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4=C(NC5=C4C=CC=C5)[C@@H]3C[C@H]12

InChI

InChIKey=GRTOGORTSDXSFK-DLLGKBFGSA-N
InChI=1S/C21H24N2O3/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/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24N2O3
Molecular Weight 352.4269
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:36:15 GMT 2025
Edited
by admin
on Mon Mar 31 23:36:15 GMT 2025
Record UNII
6U62R2Y5Y2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-72115
Preferred Name English
TETRAHYDROALSTONINE
Common Name English
(3.ALPHA.)-3,4,5,6-TETRAHYDROALSTONINE
Systematic Name English
ALSTONINE, 3,4,5,6-TETRAHYDRO-, (3.ALPHA.)-
Systematic Name English
(-)-TETRAHYDROALSTONINE
Common Name English
4H-INDOLO(2,3-A)PYRANO(3,4-G)QUINOLIZINE-1-CARBOXYLIC ACID, 4A,5,7,8,13,13B,14,14A-OCTAHYDRO-4-METHYL-, METHYL ESTER, (4S,4AS,13BS,14AS)-
Systematic Name English
OXAYOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-19-METHYL-, METHYL ESTER, (19.ALPHA.,20.ALPHA.)-
Systematic Name English
ALSTONINE, 3,4,5,6-TETRAHYDRO-
Systematic Name English
Code System Code Type Description
CAS
6474-90-4
Created by admin on Mon Mar 31 23:36:15 GMT 2025 , Edited by admin on Mon Mar 31 23:36:15 GMT 2025
PRIMARY
FDA UNII
6U62R2Y5Y2
Created by admin on Mon Mar 31 23:36:15 GMT 2025 , Edited by admin on Mon Mar 31 23:36:15 GMT 2025
PRIMARY
CHEBI
9479
Created by admin on Mon Mar 31 23:36:15 GMT 2025 , Edited by admin on Mon Mar 31 23:36:15 GMT 2025
PRIMARY
NSC
72115
Created by admin on Mon Mar 31 23:36:15 GMT 2025 , Edited by admin on Mon Mar 31 23:36:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-331-0
Created by admin on Mon Mar 31 23:36:15 GMT 2025 , Edited by admin on Mon Mar 31 23:36:15 GMT 2025
PRIMARY
PUBCHEM
72340
Created by admin on Mon Mar 31 23:36:15 GMT 2025 , Edited by admin on Mon Mar 31 23:36:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID201020629
Created by admin on Mon Mar 31 23:36:15 GMT 2025 , Edited by admin on Mon Mar 31 23:36:15 GMT 2025
PRIMARY
CHEBI
142526
Created by admin on Mon Mar 31 23:36:15 GMT 2025 , Edited by admin on Mon Mar 31 23:36:15 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
ACTIVE MOIETY