Basic information
- CAS
50264-78-3- Standard SMILES
Cc1ccc(Cn2nc(C(=O)O)c3ccccc32)c(C)c1- InChIKey
WHWIXTDKNBCRAS-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Overview
Xinidamine is a small molecule drug. Xinidamine has a monoisotopic molecular weight of 280.12 Da.
Names & identifiers
- Preferred name
- Xinidamine
- IUPAC
- 1-[(2,4-dimethylphenyl)methyl]indazole-3-carboxylic acid
- English name
- Xinidamine
- Molecular formula
- C17H16N2O2
- Molecular weight
- 280.32
Names & synonyms
Xinidamine50264-78-3Xinidamine [INN]Xinidaminum [INN-Latin]XinidaminumXinidaminoXinidamino [INN-Spanish]1-(2,4-Dimethylbenzyl)-1H-indazole-3-carboxylic acidUNII-8IVL8S1U34BRN 08919798IVL8S1U341-(2,4-Dimethylbenzyl)-1H-indazol-3-carbonsaeure
Show more names
1H-Indazole-3-carboxylic acid, 1-[(2,4-dimethylphenyl)methyl]-
DTXSID101982655-25-04-00250 (Beilstein Handbook Reference)1H-Indazole-3-carboxylic acid, 1-(2,4-dimethylbenzyl)-Xinidaminum (INN-Latin)Xinidamino (INN-Spanish)RefChem:195364DTXCID401207561-[(2,4-dimethylphenyl)methyl]indazole-3-carboxylic acid
Database identifiers
- CAS
50264-78-3- PubChem CID
- 68675
- DTXSID
DTXSID10198265- ChEMBL
CHEMBL2104542- UNII
- 8IVL8S1U34
- Nikkaji
- J10.370E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- FDA UNII
- 8 IVL8S1U34 · 8IVL8S1U34
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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