Estrapronicate
Basic information
- CAS
4140-20-9- Standard SMILES
CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3cccnc3)CC[C@@H]12- InChIKey
FXMSQUVSUXBBAB-TXDQRGGKSA-N- Molecular formula
- C27H31NO4
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.22530847
Overview
Estrapronicate is a small molecule drug. Estrapronicate has a monoisotopic molecular weight of 433.23 Da.
Names & identifiers
- Preferred name
- Estrapronicate
- IUPAC
- [(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate
- English name
- estrapronicate
- Molecular formula
- C27H31NO4
- Molecular weight
- 433.545
Names & synonyms
EstrapronicateEstrapronicatoEstrapronicatum4140-20-9BC621AC03LDTXSID70961659Estradiol 17-nicotinate 3-propionateRefChem:137936DTXCID901389482223-964-6Estrapronicate [INN]UNII-BC621AC03L
Show more names
1,3,5(10)-Estratriene-3,17β-diol 17-nicotinate 3-propionatenicotin [(8R,9S,13S,14S,17S)-13-methyl-3-propionyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
Estrapronicatum [INN-Latin]Estrapronicato [INN-Spanish]EINECS 223-964-6[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylateESTRAPRONICATE [MART.]SCHEMBL1133125ESTRAPRONICATE [WHO-DD]CHEMBL2106233
Database identifiers
- CAS
4140-20-9- PubChem CID
- 66433
- DTXSID
DTXSID70961659- ChEMBL
CHEMBL2106233- UNII
- BC621AC03L
- EC Number
- 223-964-6
- Nikkaji
- J8.684C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 710
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 621 AC03L · BC621AC03L
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…