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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19N3O3
Molecular Weight 301.3404
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (6bR,10aS)-2,3,6b,9,10,10a-hexahydro-2-oxo-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(7H)-carboxylate

SMILES

[H][C@]12CCN(C[C@@]1([H])C3=CC=CC4=C3N2CC(=O)N4)C(=O)OCC

InChI

InChIKey=QXNQHNWWRRMQPS-AAEUAGOBSA-N
InChI=1S/C16H19N3O3/c1-2-22-16(21)18-7-6-13-11(8-18)10-4-3-5-12-15(10)19(13)9-14(20)17-12/h3-5,11,13H,2,6-9H2,1H3,(H,17,20)/t11-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H19N3O3
Molecular Weight 301.3404
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:08:57 UTC 2023
Edited
by admin
on Sat Dec 16 20:08:57 UTC 2023
Record UNII
Q3URB4V7JE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (6bR,10aS)-2,3,6b,9,10,10a-hexahydro-2-oxo-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(7H)-carboxylate
Systematic Name English
1H-Pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(7H)-carboxylic acid, 2,3,6b,9,10,10a-hexahydro-2-oxo-, ethyl ester, (6bR,10aS)-
Systematic Name English
ethyl (10R,15S)-3-oxo-1,4,12-triazatetracyclo[7.6.1.0516.01°15]hexadeca-5(16),6,8-triene-12-carboxylate
Systematic Name English
Code System Code Type Description
CAS
313369-16-3
Created by admin on Sat Dec 16 20:08:57 UTC 2023 , Edited by admin on Sat Dec 16 20:08:57 UTC 2023
PRIMARY
FDA UNII
Q3URB4V7JE
Created by admin on Sat Dec 16 20:08:57 UTC 2023 , Edited by admin on Sat Dec 16 20:08:57 UTC 2023
PRIMARY
PUBCHEM
20578971
Created by admin on Sat Dec 16 20:08:57 UTC 2023 , Edited by admin on Sat Dec 16 20:08:57 UTC 2023
PRIMARY
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