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 Number	27314-97-2
PubChem CID	135413511
IUPAC Name	1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
Molecular Formula	C7H6N4O2
Molecular Weight	178.15
XLogP	-0.3
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	191

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

CAS: 27314-97-2

CID: 135413511

Formula: C7H6N4O2

MW: 178.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	178.15
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	178.04907545
Monoisotopic Mass	178.04907545
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191
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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Tirapazamine 1000mg

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