COCCININE

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 Search

SMILES

CO[C@@H]1C=C2[C@H](C[C@@H]1O)[N@@]3C[C@H]2C4=C(C3)C=C5OCOC5=C4

InChI

InChIKey=MKYLOMHWHWEFCT-ZQDZILKHSA-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+/m0/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 `Mon Mar 31 23:42:17 GMT 2025` Edited by `admin` on `Mon Mar 31 23:42:17 GMT 2025`
Record UNII	84264F9JYT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COCCININE

Common Name

English

COCCININE, (-)-

Preferred Name

English

PANCRACINE, O2-METHYL-, (2.BETA.)-

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-, (6R,6AS,8S,9R,11S)-

Systematic 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-, (6R-(6.ALPHA.,6A.BETA.,8.BETA.,9.BETA.,11.ALPHA.))-

Systematic Name

English

O2-METHYL-2-EPIPANCRACINE

Common Name

English

O2-METHYL-2.BETA.-PANCRACINE

Common Name

English

Code System Code Type Description

FDA UNII

84264F9JYT

Created by admin on Mon Mar 31 23:42:17 GMT 2025 , Edited by admin on Mon Mar 31 23:42:17 GMT 2025

PRIMARY

PUBCHEM

10881152

Created by admin on Mon Mar 31 23:42:17 GMT 2025 , Edited by admin on Mon Mar 31 23:42:17 GMT 2025

PRIMARY

CAS

485-57-4

Created by admin on Mon Mar 31 23:42:17 GMT 2025 , Edited by admin on Mon Mar 31 23:42:17 GMT 2025

PRIMARY