Basic information
- CAS
2363-58-8- Standard SMILES
CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O- InChIKey
OBMLHUPNRURLOK-UHFFFAOYSA-N- Molecular formula
- C19H30OS
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.20173675
Overview
LSM-6713 is a steroid. It derives from a hydride of an estrane.
Names & identifiers
- Preferred name
- Thiodrol
- IUPAC
- 2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
- English name
- Epitiostanol
- Molecular formula
- C19H30OS
- Molecular weight
- 306.51
Names & synonyms
Thiodrol2,3-Epithioandrostan-17-ol10275S2.alpha.,3.alpha.-Epithio-5.alpha.-androstan-17.beta.-olSCHEMBL1649917CHEBI:95344DTXSID30859720OBMLHUPNRURLOK-UHFFFAOYSA-NAKOS015898868NS001239655.alpha.-Androstan-17.beta.-ol,3.alpha.-epithio-Q5383718
Show more names
NSC 194684EpitiostanoEpitiostanolEPitostsanolEpithiostanolEpitiostanol RSEpithioandrostanolEpitiostanol USP/EP/BP
2.alpha.,3.alpha.-Epithio-5.alpha.-androstan-17.beta.-o15.alpha.-Androstan-17.beta.-ol, 2.beta.,3.beta.-epithio-Androstan-17-ol,3-epithio-, (2.alpha.,3.alpha.,5.alpha.,17.beta.)-8a,10a-Dimethylhexadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]thiiren-1-ol #
Database identifiers
- CAS
2363-58-8- PubChem CID
- 3243
- DTXSID
DTXSID30859720- ChEBI
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 127 · 127-128°
- alpha
- 27.5 · D27.5 +24.4° (c = 1.054 in chloroform)
- Boiling point
- 417.1 °C · 417.1°C (rough estimate)
- Density
- 1.0122 · 1.0122 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15.1 · 15.10±0.60(Predicted)
- color
- White to Off-White
- Water Solubility
- 1.2 mg/L · 1.2mg/L(37 ºC)
- FDA UNII
- 7586973 L · YE7586973L
- Toxicity
- 50 in · LD50 in mice, rats (mg/kg): 1, 5 i.p. (Minesita, p 805)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice, rats (mg/kg): 1, 5 i.p. (Minesita, p 805)
Chemistry & industry
Applications
UsesAn anabolic steroid that exhibits androgenic, myogenic, anabolic, anticatabolic, progestational, deciduomatogenic, and antiestrogenic activities. An anti-estrogen with anti-mammry cancer agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers12 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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