Basic information
- CAS
10448-96-1- Standard SMILES
C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12- InChIKey
JUAJXSMWFOFDFC-MNHDCVOLSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763001
Names & identifiers
- Preferred name
- Almestrone
- IUPAC
- (7R,8R,9S,13S,14S)-3-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- English name
- Almestrone
- Molecular formula
- C19H24O2
- Molecular weight
- 284.39
Names & synonyms
Almestrone10448-96-1Almestrona7alpha-MethylestroneAlmestrone [INN]AlmestronumAlmestronum [INN-Latin]Almestrona [INN-Spanish]N18A31MTB0Ba 38372NSC 134712NSC-134712
Show more names
U 24704BA38372SR 16279BA-38372Ciba 38372Ciba-38372Almestrone USP/EP/BP
3-Hydroxy-7alpha-methylestra-1,3,5(10)-trien-17-oneDTXSID001016949Almestronum (INN-Latin)Almestrona (INN-Spanish)3-Hydroxy-7.alpha.-methylestra-1,3,5(10)-trien-17-oneEstra-1,3,5(10)-trien-17-one, 3-hydroxy-7alpha-methyl-RefChem:554937DTXCID801475135
Database identifiers
- CAS
10448-96-1- PubChem CID
- 65601
- DTXSID
DTXSID001016949- ChEMBL
CHEMBL2104052- UNII
- N18A31MTB0
- EC Number
- 686-274-8
- Nikkaji
- J10.458B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Melting point
- 231 · 231-233 °C
- Boiling point
- 448.7 · 448.7±45.0 °C(Predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- pka
- 10.25 · 10.25±0.60(Predicted)
- FDA UNII
- 18 A31MTB0 · N18A31MTB0
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H361-H332-H351-H412
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P273-P501-P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P273, 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 17 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H312-H361-H332-H351-H412
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P273-P501-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Suppliers11 total
杭州东帆化学有限公司86-0571-85151182
池州凯隆进出口贸易有限公司[email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
山东君瑞医药科技有限公司0539-5636807 15762008972 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
3 records
Compound notes
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