Famotidine | SBID = 323 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 238.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | 1.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 231.3 | ||
| Sum Formula: | C8H15N7O2S3 | ||
| M / g/mol: | 337.435 | ||
| Complexity: | 469.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, drug
- Name: Famotidine
- Preferred Abbreviation: Famotidine
- IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
- CAS: 76824-35-6
- CID: 5702160
- InChiKey: XUFQPHANEAPEMJ-UHFFFAOYSA-N
- InChi: InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
- CanoSmiles: C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N
- IsoSmiles: C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N
