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

[H][C@@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CCC4=C2NC5=C4C=CC=C5)C(=O)OC

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 Sat Dec 16 11:03:26 GMT 2023
Edited
by admin
on Sat Dec 16 11:03:26 GMT 2023
Record UNII
6U62R2Y5Y2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
NSC-72115
Code 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 Sat Dec 16 11:03:26 GMT 2023 , Edited by admin on Sat Dec 16 11:03:26 GMT 2023
PRIMARY
FDA UNII
6U62R2Y5Y2
Created by admin on Sat Dec 16 11:03:26 GMT 2023 , Edited by admin on Sat Dec 16 11:03:26 GMT 2023
PRIMARY
CHEBI
9479
Created by admin on Sat Dec 16 11:03:26 GMT 2023 , Edited by admin on Sat Dec 16 11:03:26 GMT 2023
PRIMARY
NSC
72115
Created by admin on Sat Dec 16 11:03:26 GMT 2023 , Edited by admin on Sat Dec 16 11:03:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-331-0
Created by admin on Sat Dec 16 11:03:26 GMT 2023 , Edited by admin on Sat Dec 16 11:03:26 GMT 2023
PRIMARY
PUBCHEM
72340
Created by admin on Sat Dec 16 11:03:26 GMT 2023 , Edited by admin on Sat Dec 16 11:03:26 GMT 2023
PRIMARY
CHEBI
142526
Created by admin on Sat Dec 16 11:03:26 GMT 2023 , Edited by admin on Sat Dec 16 11:03:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID20102062
Created by admin on Sat Dec 16 11:03:26 GMT 2023 , Edited by admin on Sat Dec 16 11:03:26 GMT 2023
PRIMARY
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