MITRAGYNINE PSEUDOINDOXYL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30N2O5
Molecular Weight	414.4947
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]23NC4=C(C3=O)C(OC)=CC=C4)C(=C/OC)\C(=O)OC

InChI

InChIKey=BAEJBRCYKACTAA-WGUOAFTMSA-N

InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H30N2O5
Molecular Weight	414.4947
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:58:26 UTC 2023` Edited by `admin` on `Sat Dec 16 18:58:26 UTC 2023`
Record UNII	BKA67VHE3B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MITRAGYNINE PSEUDOINDOXYL

Common Name

English

SPIRO(2H-INDOLE-2,1'(5'H)-INDOLIZINE)-7'-ACETIC ACID, 6'-ETHYL-1,2',3,3',6',7',8',8'A-OCTAHYDRO-4-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-3-OXO-, METHYL ESTER, (.ALPHA.E,1'S,6'S,7'S,8'AS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

44301701

Created by admin on Sat Dec 16 18:58:27 UTC 2023 , Edited by admin on Sat Dec 16 18:58:27 UTC 2023

PRIMARY

FDA UNII

BKA67VHE3B

Created by admin on Sat Dec 16 18:58:27 UTC 2023 , Edited by admin on Sat Dec 16 18:58:27 UTC 2023

PRIMARY

CAS

2035457-43-1

Created by admin on Sat Dec 16 18:58:27 UTC 2023 , Edited by admin on Sat Dec 16 18:58:27 UTC 2023

PRIMARY

Related Record Type Details


					1PE72K8X46

MU-TYPE OPIOID RECEPTOR

TARGET->PARTIAL AGONIST

Comments:

MOR partial agonists with reduced β-arrestin-2 recruitment in-vitro. 20-fold more potent than morphine at inhibiting contractions and 100-fold more potent than mitragynine.

Qualification:

EC50

Amount: