LEPIDILINE B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H23N2.Cl
Molecular Weight	326.863
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)=C(C)N1CC3=CC=CC=C3

InChI

InChIKey=VVNHJXQBUXJGBN-UHFFFAOYSA-M

InChI=1S/C20H23N2.ClH/c1-16-17(2)22(15-20-12-8-5-9-13-20)18(3)21(16)14-19-10-6-4-7-11-19;/h4-13H,14-15H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula	C20H23N2
Molecular Weight	291.41
Charge	1
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 10:05:40 GMT 2023` Edited by `admin` on `Sat Dec 16 10:05:40 GMT 2023`
Record UNII	468X0RNJ1D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LEPIDILINE B

Common Name

English

MACALINE B

Common Name

English

1,3-DIBENZYL-2,4,5-TRIMETHYLIMIDAZOLIUM CHLORIDE

Systematic Name

English

1H-IMIDAZOLIUM, 2,4,5-TRIMETHYL-1,3-BIS(PHENYLMETHYL)-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

9862174

Created by admin on Sat Dec 16 10:05:40 GMT 2023 , Edited by admin on Sat Dec 16 10:05:40 GMT 2023

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EPA CompTox

DTXSID30851688

Created by admin on Sat Dec 16 10:05:40 GMT 2023 , Edited by admin on Sat Dec 16 10:05:40 GMT 2023

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FDA UNII

468X0RNJ1D

Created by admin on Sat Dec 16 10:05:40 GMT 2023 , Edited by admin on Sat Dec 16 10:05:40 GMT 2023

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CAS

596093-97-9

Created by admin on Sat Dec 16 10:05:40 GMT 2023 , Edited by admin on Sat Dec 16 10:05:40 GMT 2023

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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) = 6.47; human colon adenocarcinoma(HT-29) >10; human prostate adenocarcinoma(PC3) >10; human pancreatic adenocarcinoma(PACA2) = 1.38; human kidney carcinoma(A4982LM) >10; human breast carcinoma(MDA231) = 1.66; human ovarian carcinoma(FDIGROV) = 5.26.