9-O-DEMETHYLMITRAGYNINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28N2O4
Molecular Weight	384.4687
Optical Activity	( - )
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H]([C@H](CC)CN1CCC3=C2NC4=C3C(O)=CC=C4)C(=C/OC)\C(=O)OC

InChI

InChIKey=IIRZCWUQUBSIPF-XZNUVMSOSA-N

InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N2O4
Molecular Weight	384.4687
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:21:05 GMT 2023` Edited by `admin` on `Sat Dec 16 18:21:05 GMT 2023`
Record UNII	RNE3SSW79R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-O-DEMETHYLMITRAGYNINE

Common Name

English

INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-HYDROXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3S,12BS)-

Common Name

English

(-)-9-HYDROXYCORYNANTHEIDINE

Common Name

English

Code System Code Type Description

CAS

425623-55-8

Created by admin on Sat Dec 16 18:21:06 GMT 2023 , Edited by admin on Sat Dec 16 18:21:06 GMT 2023

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PUBCHEM

10927114

Created by admin on Sat Dec 16 18:21:06 GMT 2023 , Edited by admin on Sat Dec 16 18:21:06 GMT 2023

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FDA UNII

RNE3SSW79R

Created by admin on Sat Dec 16 18:21:06 GMT 2023 , Edited by admin on Sat Dec 16 18:21:06 GMT 2023

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Related Record Type Details


					EP479K822J

MITRAGYNINE

PARENT -> METABOLITE

Qualification:

URINE

Amount: