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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19NO4
Molecular Weight 301.3371
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COCCININE, (+)-

SMILES

[H][C@@]12C[C@@H](O)[C@@H](OC)C=C1[C@@H]3C[N@]2CC4=CC5=C(OCO5)C=C34

InChI

InChIKey=MKYLOMHWHWEFCT-TUVASFSCSA-N
InChI=1S/C17H19NO4/c1-20-15-4-11-12-7-18(13(11)5-14(15)19)6-9-2-16-17(3-10(9)12)22-8-21-16/h2-4,12-15,19H,5-8H2,1H3/t12-,13-,14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19NO4
Molecular Weight 301.3371
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 11:13:44 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:44 GMT 2023
Record UNII
YJ39P7P25L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COCCININE, (+)-
Common Name English
6,11-METHANO-6H-1,3-BENZODIOXOLO(5,6-C)(1)BENZAZEPIN-8-OL, 5,6A,7,8,9,11-HEXAHYDRO-9-METHOXY-, (6S,6AR,8R,9S,11R)-
Systematic Name English
(+)-COCCININE
Common Name English
6,11-METHANO-6H-BENZO(B)-1,3-BENZODIOXOLO(5,6-E)AZEPIN-8-OL, 5,6A,7,8,9,11-HEXAHYDRO-9-METHOXY-, (6S,6AR,8R,9S,11R)-
Systematic Name English
Code System Code Type Description
FDA UNII
YJ39P7P25L
Created by admin on Sat Dec 16 11:13:44 GMT 2023 , Edited by admin on Sat Dec 16 11:13:44 GMT 2023
PRIMARY
CAS
212645-13-1
Created by admin on Sat Dec 16 11:13:44 GMT 2023 , Edited by admin on Sat Dec 16 11:13:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID10904166
Created by admin on Sat Dec 16 11:13:44 GMT 2023 , Edited by admin on Sat Dec 16 11:13:44 GMT 2023
PRIMARY
PUBCHEM
10990262
Created by admin on Sat Dec 16 11:13:44 GMT 2023 , Edited by admin on Sat Dec 16 11:13:44 GMT 2023
PRIMARY