BRL-32872

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H35N3O7.ClH
Molecular Weight	574.065
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC1=CC=C(C=C1OC)N(CCCN(C)CCC2=CC(OC)=C(OC)C=C2)C(=O)C3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=CMKVOHIRMCFVBJ-UHFFFAOYSA-N

InChI=1S/C29H35N3O7.ClH/c1-30(18-15-21-7-13-25(36-2)27(19-21)38-4)16-6-17-31(24-12-14-26(37-3)28(20-24)39-5)29(33)22-8-10-23(11-9-22)32(34)35;/h7-14,19-20H,6,15-18H2,1-5H3;1H

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	C29H35N3O7
Molecular Weight	537.6041
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 `Mon Mar 31 18:09:21 GMT 2025` Edited by `admin` on `Mon Mar 31 18:09:21 GMT 2025`
Record UNII	WFVI5D2FH4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRL-32872

Code

English

BENZAMIDE, N-(3,4-DIMETHOXYPHENYL)-N-(3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)METHYLAMINO)PROPYL)-4-NITRO-, MONOHYDROCHLORIDE

Preferred Name

English

N-(3,4-DIMETHOXYPHENYL)-N-(3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)METHYLAMINO)PROPYL)-4-NITROBENZAMIDE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10150328