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Tirapazamine 1000mg

CAT: 0628-A12754-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A12754-1000Size:1000 mg
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CAS Number
27314-97-2

Chemical Information

Tirapazamine

Tirapazamine is a member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4. It has a role as an antibacterial agent, an antineoplastic agent and an apoptosis inducer. It is an aromatic amine, a N-oxide and a member of benzotriazines. It is functionally related to a 1,2,4-benzotriazine.

CAS Number27314-97-2
PubChem CID135413511
IUPAC Name1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
Molecular FormulaC7H6N4O2
Molecular Weight178.15
XLogP-0.3
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity191
SMILES
C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-]
InChI
InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)
InChIKey
ORYDPOVDJJZGHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tirapazamine
CAS: 27314-97-2
CID: 135413511
Formula: C7H6N4O2
MW: 178.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.15
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass178.04907545
Monoisotopic Mass178.04907545
Topological Polar Surface Area89.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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