LEPIDILINE A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H21N2.Cl
Molecular Weight	312.836
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].CC1=C(C)[N+](CC2=CC=CC=C2)=CN1CC3=CC=CC=C3

InChI

InChIKey=ZATWGHMQWRXUNZ-UHFFFAOYSA-M

InChI=1S/C19H21N2.ClH/c1-16-17(2)21(14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18;/h3-12,15H,13-14H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C19H21N2
Molecular Weight	277.3834
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:02 GMT 2023` Edited by `admin` on `Sat Dec 16 10:44:02 GMT 2023`
Record UNII	29S9F3SV9Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LEPIDILINE A

Common Name

English

1H-IMIDAZOLIUM, 4,5-DIMETHYL-1,3-BIS(PHENYLMETHYL)-, CHLORIDE (1:1)

Systematic Name

English

MACALINE A

Common Name

English

1,3-DIBENZYL-4,5-DIMETHYLIMIDAZOLIUM CHLORIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70851687

Created by admin on Sat Dec 16 10:44:02 GMT 2023 , Edited by admin on Sat Dec 16 10:44:02 GMT 2023

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CAS

596093-98-0

Created by admin on Sat Dec 16 10:44:02 GMT 2023 , Edited by admin on Sat Dec 16 10:44:02 GMT 2023

PRIMARY

PUBCHEM

404702

Created by admin on Sat Dec 16 10:44:02 GMT 2023 , Edited by admin on Sat Dec 16 10:44:02 GMT 2023

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FDA UNII

29S9F3SV9Q

Created by admin on Sat Dec 16 10:44:02 GMT 2023 , Edited by admin on Sat Dec 16 10:44:02 GMT 2023

PRIMARY

Related Record Type Details


					HP7119212T

LEPIDIUM MEYENII ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Results were expressed as ED50 values (ug/mL) and are as follows: human lung carcinoma(A549) >10; human bladder carcinoma(UMUC3) = >10; human colon adenocarcinoma(HT-29) >10; human prostate adenocarcinoma(PC3) >10; human pancreatic adenocarcinoma(PACA2) >10; human kidney carcinoma(A4982LM) >10; human breast carcinoma(MDA231) >10; human ovarian carcinoma(FDIGROV) = 7.39.