MDMB-4en-PICA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28N2O3
Molecular Weight	356.4586
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@H](NC(=O)C1=CN(CCCC=C)C2=CC=CC=C12)C(C)(C)C

InChI

InChIKey=DKAYJHYDQWJEBK-GOSISDBHSA-N

InChI=1S/C21H28N2O3/c1-6-7-10-13-23-14-16(15-11-8-9-12-17(15)23)19(24)22-18(20(25)26-5)21(2,3)4/h6,8-9,11-12,14,18H,1,7,10,13H2,2-5H3,(H,22,24)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H28N2O3
Molecular Weight	356.4586
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:46:17 GMT 2023` Edited by `admin` on `Sat Dec 16 19:46:17 GMT 2023`
Record UNII	5KMC75772F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MDMB-4en-PICA

Common Name

English

Methyl (S)-3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1H-indole-3-carboxamido)butanoate

Systematic Name

English

3-Methyl-N-[[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl]-L-valine methyl ester

Common Name

English

L-Valine, 3-methyl-N-[[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl]-, methyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

5KMC75772F

Created by admin on Sat Dec 16 19:46:17 GMT 2023 , Edited by admin on Sat Dec 16 19:46:17 GMT 2023

PRIMARY

PUBCHEM

165361534

Created by admin on Sat Dec 16 19:46:17 GMT 2023 , Edited by admin on Sat Dec 16 19:46:17 GMT 2023

PRIMARY

CAS

2659308-32-2

Created by admin on Sat Dec 16 19:46:17 GMT 2023 , Edited by admin on Sat Dec 16 19:46:17 GMT 2023

PRIMARY

Related Record Type Details


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3-Methyl-N-[[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl]-L-valine

METABOLITE -> PARENT

Amount: