17-CARBOXY-16,17-DIHYDROMITRAGYNINE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H28N2O5
Molecular Weight	400.4681
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17-CARBOXY-16,17-DIHYDROMITRAGYNINE

Structure Search

SMILES

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

InChI

InChIKey=INIORAKYNNQAIN-DQGXJECDSA-N

InChI=1S/C22H28N2O5/c1-4-12-11-24-9-8-13-18-15(6-5-7-17(18)28-2)23-20(13)16(24)10-14(12)19(21(25)26)22(27)29-3/h5-7,12,14,16,19,23H,4,8-11H2,1-3H3,(H,25,26)/t12-,14+,16+,19?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N2O5
Molecular Weight	400.4681
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:50:34 GMT 2023` Edited by `admin` on `Sat Dec 16 18:50:34 GMT 2023`
Record UNII	CUX9JXG34F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17-CARBOXY-16,17-DIHYDROMITRAGYNINE

Common Name

English

PROPANEDIOIC ACID, 2-((2S,3S,12BS)-3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXYINDOLO(2,3-A)QUINOLIZIN-2-YL)-, 1-METHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

1224430-05-0

Created by admin on Sat Dec 16 18:50:34 GMT 2023 , Edited by admin on Sat Dec 16 18:50:34 GMT 2023

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PUBCHEM

162625112

Created by admin on Sat Dec 16 18:50:34 GMT 2023 , Edited by admin on Sat Dec 16 18:50:34 GMT 2023

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FDA UNII

CUX9JXG34F

Created by admin on Sat Dec 16 18:50:34 GMT 2023 , Edited by admin on Sat Dec 16 18:50:34 GMT 2023

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Related Record Type Details


					EP479K822J

MITRAGYNINE

PARENT -> METABOLITE

Amount: