Basic information
- CAS
26443-03-8- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1- InChIKey
LQWSQQKTZLDGME-RYIFMDQWSA-N- Molecular formula
- C27H32O3
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.23514488
Overview
Estradiol-17-phenylpropionate is a steroid ester.
Names & identifiers
- Preferred name
- Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-benzenepropanoate
- IUPAC
- [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
- English name
- estra-1,3,5(10)-triene-3,17beta-diol 17-(benzenepropionate)
- Molecular formula
- C27H32O3
- Molecular weight
- 404.54
Names & synonyms
Estradiol-17-phenylpropionate26443-03-8LS956OGN6UDTXSID00181040Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-benzenepropanoateRefChem:591261DTXCID10103531estradiol phenylpropionateNSC-26645NSC26645UNII-LS956OGN6UEINECS 247-690-1
Show more names
17β-(3-phenyl-propionyloxy)-estra-1,3,5(10)-trien-3-olestra-1,3,5(10)-triene-3,17β-diol 17-(benzenepropionate)Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-benzenepropanoateBenzenepropanoic acid 3-hydroxyestra-1,3,5(10)-trien-17β-yl ester
NSC 26645Estra-1,3,5(10)-triene-3,17beta-diol 17-(benzenepropionate)SCHEMBL2596556CHEMBL1974118CHEBI:34746ESTRADIOL 17-HYDROCINNAMATEESTRADIOL, 17-HYDROCINNAMATE[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
Database identifiers
- CAS
26443-03-8- PubChem CID
- 68577
- DTXSID
DTXSID00181040- ChEMBL
CHEMBL1974118- ChEBI
CHEBI:34746- UNII
- LS956OGN6U
- EC Number
- 247-690-1
- Nikkaji
- J248.942B
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 611
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 956 OGN6U · LS956OGN6U
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 360 · H360-H351-H332-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P201-P202-P281-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H312 (94.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (94.4%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H360-H351-H332-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Estradiol-17-phenylpropionate is a steroid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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