主记录
Irdabisant
- CAS
- 1005402-19-6
- PubChem CID
- 25070031
- SMILES
- C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C3=NNC(=O)C=C3
- 分子式
- C18H23N3O2
- 分子量
- 313.401
- 精确分子量
- 313.179
- InChI
- InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
- InChIKey
- XUKROCVZGZNGSI-CQSZACIVSA-N
- LogP
- 2.6901
- TPSA
- 58.22
名称与别名
- Irdabisant
- irdabisantum
- Irdabisant (USAN)
- CEP-26401
- Irdabisant [USAN:INN]
- UNII-WH7ISP34KA
- 1005402-19-6
- WH7ISP34KA
- IRDABISANT [INN]
- IRDABISANT [USAN]
- CEP26401
- IRDABISANT [WHO-DD]
- RefChem:148699
- CEP 26401
- D0R2OU
- SCHEMBL118744
- DTXSID50143375
- orb1696917
- CHEMBL1813052
- CHEMBL1813067
- CHEMBL1829335
- DTXCID4065866
- CHEBI:177564
- XUKROCVZGZNGSI-CQSZACIVSA-N
- BDBM50350021
- MFCD28502107
- AKOS040752101
- AT38262
- DB12900
- BI184163