Basic information
- CAS
67040-53-3- Standard SMILES
CCCCCC(C)(O)CS[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1- InChIKey
DRWKZQHXBXCXEO-ONNUEXRDSA-N- Molecular formula
- C33H45NO6S
- Average molar mass
- 583.8 g/mol
- Monoisotopic mass
- 583.29675933
Names & identifiers
- Preferred name
- Tiprostanide
- IUPAC
- (4-benzamidophenyl) 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxy-2-methylheptyl)sulfanyl-5-oxocyclopentyl]heptanoate
- English name
- tiprostanide
- Molecular formula
- C33H45NO6S
- Molecular weight
- 583.78
Names & synonyms
TiprostanideTiprostanida67040-53-3W28FJ301MU(4-benzamidophenyl) 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxy-2-methylheptyl)sulfanyl-5-oxocyclopentyl]heptanoateEmd-33290TiprostanidumEmd 33290Tiprostanidum [Latin]Tiprostanida [Spanish]Tiprostanide [INN:BAN]UNII-W28FJ301MU
Show more names
3-Hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentaneheptanoic acid 4-(benzoylamino)phenyl ester
82468-60-8EINECS 266-556-3TIPROSTANIDE [INN]SCHEMBL563853CHEMBL2107137NS00053677Q2729221711alpha,15-dihydroxy-15-methyl-9-oxo-13-thiaprostanoic acid p-benzoylaminophenyl ester
Database identifiers
- CAS
67040-53-3、82468-60-8- PubChem CID
- 72174
- ChEMBL
CHEMBL2107137- UNII
- W28FJ301MU
- EC Number
- 266-556-3
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 810
Physicochemical properties
- Boiling point
- 690.628 · 690.628±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.201 · 1.201±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.615 · 12.615±0.70(predicted)
- FDA UNII
- 28 FJ301MU · W28FJ301MU
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
1 records
Compound notes
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