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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17N3O3
Molecular Weight 347.3673
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIRCUMDATIN H

SMILES

[H][C@@]12CCCN1C(=O)C3=CC=CC=C3N4C(=O)C5=CC(OC)=CC=C5N=C24

InChI

InChIKey=MLEAYJRUKNTODR-KRWDZBQOSA-N
InChI=1S/C20H17N3O3/c1-26-12-8-9-15-14(11-12)20(25)23-16-6-3-2-5-13(16)19(24)22-10-4-7-17(22)18(23)21-15/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H17N3O3
Molecular Weight 347.3673
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:36:20 GMT 2023
Edited
by admin
on Sat Dec 16 17:36:20 GMT 2023
Record UNII
3BS8YZ86VK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIRCUMDATIN H
Common Name English
(15AS)-13,14,15,15A-TETRAHYDRO-3-METHOXY-5H,11H-PYRROLO(2,1-C)QUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-5,11-DIONE
Systematic Name English
(-)-Circumdatin H
Common Name English
10H,15H-PYRROLO(2,1-C)QUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-10,15-DIONE, 5B,6,7,8-TETRAHYDRO-2-METHOXY-, (6BS)-
Systematic Name English
CIRCUMDATINE H
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID601045685
Created by admin on Sat Dec 16 17:36:21 GMT 2023 , Edited by admin on Sat Dec 16 17:36:21 GMT 2023
PRIMARY
PUBCHEM
46184995
Created by admin on Sat Dec 16 17:36:21 GMT 2023 , Edited by admin on Sat Dec 16 17:36:21 GMT 2023
PRIMARY
FDA UNII
3BS8YZ86VK
Created by admin on Sat Dec 16 17:36:21 GMT 2023 , Edited by admin on Sat Dec 16 17:36:21 GMT 2023
PRIMARY
WIKIPEDIA
Circumdatin H
Created by admin on Sat Dec 16 17:36:21 GMT 2023 , Edited by admin on Sat Dec 16 17:36:21 GMT 2023
PRIMARY
CAS
868528-39-6
Created by admin on Sat Dec 16 17:36:21 GMT 2023 , Edited by admin on Sat Dec 16 17:36:21 GMT 2023
PRIMARY