VIROSECURININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H15NO2
Molecular Weight	217.2637
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCCN1[C@@H]3C[C@]24OC(=O)C=C4C=C3

InChI

InChIKey=SWZMSZQQJRKFBP-GMXVVIOVSA-N

InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H15NO2
Molecular Weight	217.2637
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:06:42 GMT 2023` Edited by `admin` on `Fri Dec 15 16:06:42 GMT 2023`
Record UNII	D05X6H4208
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VIROSECURININE

Common Name

English

8H-6,11B-METHANOFURO(2,3-C)PYRIDO(1,2-A)AZEPIN-2(6H)-ONE, 9,10,11,11A-TETRAHYDRO-, (6R-(6.ALPHA.,11A.BETA.,11B.ALPHA.))-

Systematic Name

English

VIROSECURININ

Common Name

English

(6R,11AS,11BR)-9,10,11,11A-TETRAHYDRO-8H-6,11B-METHANOFURO(2,3-C)PYRIDO(1,2-A)AZEPIN-2(6H)-ONE

Systematic Name

English

8H-6,11B-METHANOFURO(2,3-C)PYRIDO(1,2-A)AZEPIN-2(6H)-ONE, 9,10,11,11A-TETRAHYDRO-, (6R,11AS,11BR)-

Systematic Name

English

2.ALPHA.,7.ALPHA.-SECURININE

Common Name

English

D-SECURININE

Common Name

English

NSC-107414

Code

English

(+)-VIROSECURININE

Common Name

English

SECURINAN-11-ONE, (2.ALPHA.,7.BETA.,9.BETA.)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID901316136