Basic information
- CAS
114607-46-4- Standard SMILES
O=C(O)C(=O)Nc1cccc(-c2nn[nH]n2)c1- InChIKey
VWQZJJZGISNFOE-UHFFFAOYSA-N- Molecular formula
- C9H7N5O3
- Average molar mass
- 233.18 g/mol
- Monoisotopic mass
- 233.0548891
Overview
Acitazanolast is a member of tetrazoles.
Names & identifiers
- Preferred name
- Acitazanolast
- IUPAC
- 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid
- English name
- Acitazanolast
- Molecular formula
- C9H7N5O3
- Molecular weight
- 233.18
Names & synonyms
Acitazanolast114607-46-4WP-871DTXSID304873299Y8VJ356GDTXCID60286583-(1H-tetrazol-5-yl)Oxanilic AcidAcetic acid, oxo[[3-(1H-tetrazol-5-yl)phenyl]amino]-Acetic acid, oxo((3-(1H-tetrazol-5-yl)phenyl)amino)-acitazanolastumRefChem:109268WP871
Show more names
WP 871CS-264ZepenolastZEPELINAcitazanolast.H2OAcitazanolast/MTCCAcitazanolast, >=98%ACITAZANOLAST 114607-46-4
MTCCAcitazanolast [INN]2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acidOxo-((3-(1H-tetrazol-5-yl)phenyl)amino)acetic acid3'-(1H-Tetrazol-5-yl)oxanilic acid2-((3-(1H-Tetrazol-5-yl)phenyl)-amino)-2-oxoacetic acidAcitazanolast (WP-871,Zepelin)Acetic acid, 2-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]amino]-
Database identifiers
- CAS
114607-46-4- PubChem CID
- 2006
- DTXSID
DTXSID3048732
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 241 · 241-243 °C (decomp)
- Density
- 1.66 · 1.660±0.06 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.20(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 99 Y8VJ356G · 99Y8VJ356G
Chemistry & industry
Applications
Uses2-((3-(1H-Tetrazol-5-yl)phenyl)-amino)-2-oxoacetic acid is used in biological study to identify mechanisms-of-action targets for drugs and drug candidates as biological probes.
Upstream & downstream products
Upstream raw materials
Suppliers29 total
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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