OTHONECINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H16NO3
Molecular Weight	186.2282
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

C[N@+]12CC[C@@H](O)[C@@]1(O)C(CO)=CC2

InChI

InChIKey=MHCDHCVYFDHGEB-UTLUCORTSA-N

InChI=1S/C9H16NO3/c1-10-4-2-7(6-11)9(10,13)8(12)3-5-10/h2,8,11-13H,3-6H2,1H3/q+1/t8-,9+,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C9H15NO3
Molecular Weight	185.2203
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:24:40 GMT 2023` Edited by `admin` on `Sat Dec 16 10:24:40 GMT 2023`
Record UNII	0QT53VH1JN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OTHONECINE

Common Name

English

OTHONECINE CATION

Common Name

English

8-HYDROXY-N-METHYLRETRONECINE

Common Name

English

OTONECINE

Common Name

English

1H-PYRROLIZINIUM, 2,3,5,7A-TETRAHYDRO-1,7A-DIHYDROXY-7-(HYDROXYMETHYL)-4-METHYL-, (1R,4R,7AS)-

Systematic Name

English

1H-PYRROLIZINIUM, 2,3,5,7A-TETRAHYDRO-1,7A-DIHYDROXY-7-(HYDROXYMETHYL)-4-METHYL-, (1R-(1.ALPHA.,4.BETA.,7A.BETA.))-

Systematic Name

English

OTHONECINE ION

Common Name

English

OTONECIN

Common Name

English

Code System Code Type Description

PUBCHEM

101286187

Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023

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EPA CompTox

DTXSID001022079

Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023

PRIMARY

FDA UNII

0QT53VH1JN

Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023

PRIMARY

CAS

6887-34-9

Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023

PRIMARY

Related Record Type Details


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OTHONECINE CHLORIDE

SALT/SOLVATE -> PARENT