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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H29N3O3
Molecular Weight 335.4419
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments Meso

SHOW SMILES / InChI
Structure of REVOSIMELINE

SMILES

CCOC(=O)N1[C@@]2([H])CC[C@]1([H])C[C@@]([H])(C2)N3CCC4(CC3)CC(=NC4)O

InChI

InChIKey=IXAHYSYEIHSUAG-FICVDOATSA-N
InChI=1S/C18H29N3O3/c1-2-24-17(23)21-13-3-4-14(21)10-15(9-13)20-7-5-18(6-8-20)11-16(22)19-12-18/h13-15H,2-12H2,1H3,(H,19,22)/t13-,14+,15+

HIDE SMILES / InChI

Molecular Formula C18H29N3O3
Molecular Weight 335.4419
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 10:46:52 UTC 2021
Edited
by admin
on Sat Jun 26 10:46:52 UTC 2021
Record UNII
9GHO88L89C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REVOSIMELINE
INN  
Official Name English
8-AZABICYCLO(3.2.1)OCTANE-8-CARBOXYLIC ACID, 3-(3-OXO-2,8-DIAZASPIRO(4.5)DEC-8-YL)-, ETHYL ESTER, (3-ENDO)-
Common Name English
REVOSIMELINE [INN]
Common Name English
Code System Code Type Description
FDA UNII
9GHO88L89C
Created by admin on Sat Jun 26 10:46:52 UTC 2021 , Edited by admin on Sat Jun 26 10:46:52 UTC 2021
PRIMARY
INN
10782
Created by admin on Sat Jun 26 10:46:52 UTC 2021 , Edited by admin on Sat Jun 26 10:46:52 UTC 2021
PRIMARY
NCI_THESAURUS
C171760
Created by admin on Sat Jun 26 10:46:52 UTC 2021 , Edited by admin on Sat Jun 26 10:46:52 UTC 2021
PRIMARY
CAS
1810001-96-7
Created by admin on Sat Jun 26 10:46:52 UTC 2021 , Edited by admin on Sat Jun 26 10:46:52 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY