9-O-DEMETHYLMITRAGYNINE SULFATE ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28N2O7S
Molecular Weight	464.532
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 9-O-DEMETHYLMITRAGYNINE SULFATE ESTER

Structure Search

SMILES

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

InChI

InChIKey=ADEXOQZRUQRSBM-XZNUVMSOSA-N

InChI=1S/C22H28N2O7S/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)31-32(26,27)28)23-21(14)18(24)10-15(13)16(12-29-2)22(25)30-3/h5-7,12-13,15,18,23H,4,8-11H2,1-3H3,(H,26,27,28)/b16-12+/t13-,15+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N2O7S
Molecular Weight	464.532
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 18:53:02 UTC 2023` Edited by `admin` on `Sat Dec 16 18:53:02 UTC 2023`
Record UNII	MJQ8T5H9VM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-O-DEMETHYLMITRAGYNINE SULFATE ESTER

Common Name

English

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

Common Name

English

9-HYDROXYCORYNANTHEIDINE SULFATE ESTER

Common Name

English

Code System Code Type Description

PUBCHEM

162623976

Created by admin on Sat Dec 16 18:53:02 UTC 2023 , Edited by admin on Sat Dec 16 18:53:02 UTC 2023

PRIMARY

FDA UNII

MJQ8T5H9VM

Created by admin on Sat Dec 16 18:53:02 UTC 2023 , Edited by admin on Sat Dec 16 18:53:02 UTC 2023

PRIMARY

CAS

1622324-56-4

Created by admin on Sat Dec 16 18:53:02 UTC 2023 , Edited by admin on Sat Dec 16 18:53:02 UTC 2023

PRIMARY

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MITRAGYNINE

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Qualification:

URINE

Amount: