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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:78887 - tirapazamine
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ChEBI Ontology
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ChEBI Name
tirapazamine
ChEBI ID
CHEBI:78887
Definition
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.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H6N4O2
Net Charge
0
Average Mass
178.14810
Monoisotopic Mass
178.04908
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
SMILES
Nc1n[n+]([O-])c2ccccc2[n+]1[O-]
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tirapazamine (
CHEBI:78887
)
has functional parent
1,2,4-benzotriazine (
CHEBI:38011
)
tirapazamine (
CHEBI:78887
)
has role
antibacterial agent (
CHEBI:33282
)
tirapazamine (
CHEBI:78887
)
has role
antineoplastic agent (
CHEBI:35610
)
tirapazamine (
CHEBI:78887
)
has role
apoptosis inducer (
CHEBI:68495
)
tirapazamine (
CHEBI:78887
)
is a
N
-oxide (
CHEBI:35580
)
tirapazamine (
CHEBI:78887
)
is a
aromatic amine (
CHEBI:33860
)
tirapazamine (
CHEBI:78887
)
is a
benzotriazines (
CHEBI:51361
)
IUPAC Name
1,2,4-benzotriazin-3-amine 1,4-dioxide
INN
Source
tirapazamine
KEGG DRUG
Synonyms
Sources
3-Amino-1,2,4-benzotriazine 1,4-dioxide
ChemIDplus
SR 4233
ChemIDplus
SR-4233
ChEBI
Manual Xrefs
Databases
D06167
KEGG DRUG
Tirapazamine
Wikipedia
View more database links
Registry Numbers
Types
Sources
179322
Beilstein Registry Number
ChemIDplus
179322
Reaxys Registry Number
Reaxys
27314-97-2
CAS Registry Number
KEGG DRUG
27314-97-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22331808
PubMed citation
Europe PMC
22531857
PubMed citation
Europe PMC
22666522
PubMed citation
Europe PMC
22946564
PubMed citation
Europe PMC
23033890
PubMed citation
Europe PMC
23888874
PubMed citation
Europe PMC
24362462
PubMed citation
Europe PMC
24395863
PubMed citation
Europe PMC
24529061
PubMed citation
Europe PMC
7954337
PubMed citation
Europe PMC
Last Modified
18 June 2014