Estriol succinate

Base Information

• Chemical Name: Estriol succinate
• CAS No.: 514-68-1
• Molecular Formula: C26H32 O9
• Molecular Weight: 388.45412
• European Community (EC) Number: 208-185-1
• UNII: AS13K2DY03
• DSSTox Substance ID: DTXSID401023693
• Nikkaji Number: J152.182I
• Wikipedia: Estriol_succinate
• Wikidata: Q27274093
• NCI Thesaurus Code: C80784
• Pharos Ligand ID: WL44GUFMQYDS
• Mol file: 514-68-1.mol

Synonyms:estriol succinate;estriol succinate, disodium salt;estriol-16,17-dihemisuccinate;styptanon;succinylestriol;synapause

Chemical Property of Estriol succinate

Chemical Property:

• Vapor Pressure: 1.46E-21mmHg at 25°C
• Boiling Point: 716.8°Cat760mmHg
• PKA: 4.40±0.17(Predicted)
• Flash Point: 240.5°C
• PSA: 147.43000
• Density: 1.38g/cm³
• LogP: 3.41140
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 488.20463259
• Heavy Atom Count: 35
• Complexity: 841

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CC(C2OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O
• Uses: Estrogen.
• Therapeutic Function: Estrogen