Tretazicar (>94%)

CAT: 0572-TRC-T719800-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-T719800-50MGSize:50 mg

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CAS Number

21919-05-1

Synonyms

5-(1-Aziridinyl)-2,4-dinitrobenzamide; 2,4-Dinitro-5-ethyleneiminobenzamide; 2,4-Dinitroethyleneiminobenzamide; 5-(1-Aziridinyl)-2,4-dinitrobenzamide; 5-Aziridino-2,4-dinitrobenzamide; 5-Aziridinyl-2,4-dinitrobenzamide; CB 1954; NSC 115829;

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-]

Molecular Formula

C9H8N4O5

Molecular Weight

252.18

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Tretazicar

Tretazicar is under investigation in clinical trial NCT00746590 (Study of Anti-tumour Effects and Safety of Prolarix™ in Hepatocellular Carcinoma).

CAS Number	21919-05-1
PubChem CID	89105
IUPAC Name	5-(aziridin-1-yl)-2,4-dinitrobenzamide
Molecular Formula	C9H8N4O5
Molecular Weight	252.18
XLogP	0
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	385

SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)

InChIKey

WOCXQMCIOTUMJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21919-05-1

CID: 89105

Formula: C9H8N4O5

MW: 252.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	252.18
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	252.04946937
Monoisotopic Mass	252.04946937
Topological Polar Surface Area	138 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
BA3927-25	Tretazicar
C12982-10mM/1mL	Tretazicar (CB1954)
HY-13543R-01	Tretazicar (Standard)
574333	ANR-94
HY-172617	APD-94
TN7989-01	JBIR-94
T86685-01	HSD17B13-IN-94
T27567-01	IAA-94
254640-01	ANR 94

Tretazicar (>94%)

Chemical Information

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