Basic information
- CAS
4956-37-0- Standard SMILES
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C- InChIKey
RFWTZQAOOLFXAY-BZDYCCQFSA-N- Molecular formula
- C25H36O3
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.26644501
Overview
Estradiol enanthate is a steroid ester.
Names & identifiers
- Preferred name
- Estradiol Enanthate
- 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] heptanoate
- English name
- Oestradiol 17-heptanoate
- Molecular formula
- C25H36O3
- Molecular weight
- 384.56
Names & synonyms
ESTRADIOL ENANTHATE4956-37-0Estradiol EnantateEstradiol 17-heptanoateDTXSID3023001PAP315WZIASQ 16,150SQ-16150SO-16150SQ-16,150DTXCID703001RefChem:137916
Show more names
Estradiol heptanoate17-Heptanoateoestradiol enanthate3,17BETA-DIHYDROXY-1,3,5[10]-ESTRATRIENE 17-ENANTHATE1,3,5(10)-Estratreine-3,17β-diol 17-enanthate, 3,17β-Dihydroxy-1,3,5(10)-estratriene 17-enanthate, Estradiol 17-heptanoateestradiol enathate
225-599-8Oestradiol 17-heptanoate[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoateEstradiol enanthate [USAN]MFCD00056542Estradiol enanthate (USAN)C25H36O3UNII-PAP315WZIA
Database identifiers
- CAS
4956-37-0- PubChem CID
- 21070
- DTXSID
DTXSID3023001- ChEMBL
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 546
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 94 · 94-96°
- Boiling point
- 509.5 · 509.5±50.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.25 · 10.25±0.60(Predicted)
- color
- White to Off-White
- λmax
- 286 nm · 286nm(EtOH)(lit.)
- Merck
- 14 · 14,3703
- InChIKey
- RFWTZQAOOLFXAY-MTBKBWMONA-N
- SMILES
- C[C@]12CC[C@]3([H])C4C=CC(O)=CC=4CC[C@@]3([H])[C@]1([H])CC[C@@H]2OC(=O)CCCCCC |&1:1,4,15,17,21,r|
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
H302 (59.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Estra-1,3,5(10)-triene-3,17-diol, 17-heptanoate, (17.beta.)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (59.1%)
Safety data
- risk_code
- 20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H351-H361
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds that interact with ESTROGEN RECEPTORS in target tissues to bring about the effects similar to those of ESTRADIOL. Estrogens stimulate the female reproductive organs, and the development of secondary female SEX CHARACTERISTICS. Estrogenic chemicals include natural, synthetic, steroidal, or non-steroidal compounds.
Applications
UsesEstrogen.
UsesEstradiol Enanthate has been used as an injectable contraceptive.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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