NCI-35847

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H23N7O4.2ClH
Molecular Weight	570.427
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.[O-][N+](=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5

InChI

InChIKey=QQYQBVHDLFJARZ-UHFFFAOYSA-N

InChI=1S/C26H23N7O4.2ClH/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24;;/h1-10,15H,11-14H2,(H,27,28)(H,29,30)(H,31,34)(H,32,35);2*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	C26H23N7O4
Molecular Weight	497.5053
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 21:47:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:47:19 GMT 2025`
Record UNII	Q77S2QTC0T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HR1917

Preferred Name

English

NCI-35847

Common Name

English

1,4-BENZENEDICARBOXAMIDE, N1,N4-BIS(4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL)-2-NITRO-, HYDROCHLORIDE (1:2)

Systematic Name

English

TEREPHTHALANILIDE, 4',4''-DI-2-IMIDAZOLIN-2-YL-2-NITRO-, DIHYDROCHLORIDE

Systematic Name

English

4',4''-DI-2-IMIDAZOLIN-2-YL-2-NITRO-TEREPHTHALANILIDE, DIHYDROCHLORIDE

Systematic Name

English

NSC-35847

Code

English

Code System Code Type Description

NSC

35847