Mestranol

• Catalog Number: ACM72333
• Product Name: Mestranol
• CAS: 72-33-3
• Category: Steroidal Compounds
• Synonyms: EE3ME; RS 1044; Norquen; d-MVE; Mestranol; SC 4725; 17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether; Ovastol; Devocin
• IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
• Molecular Weight: 310.43
• Molecular Formula: C₂₁H₂₆O₂
• Canonical SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
• InChI Key: IMSSROKUHAOUJS-MJCUULBUSA-N
• Boiling Point: 464.1ºC at 760 mmHg
• Melting Point: 150-154ºC
• Flash Point: 224.1ºC
• Density: 0.905g/cm³
• Appearance: crystalline solid
• EC Number: 200-777-8
• Exact Mass: 310.19300
• Hazard Statements: Xn: Harmful
• Safety Description: 22-26-36/37/39-45-36/37
• WGK Germany: 3

Custom Q&A

What is the PubChem CID for mestranol?

PubChem CID 6291.

What is the chemical formula for mestranol?

The chemical formula for mestranol is C21H26O2.

What is the molecular weight of mestranol?

The molecular weight of mestranol is 310.4 g/mol.

What is the IUPAC Name of mestranol?

The IUPAC Name of mestranol is (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.

What is the InChIKey of mestranol?

The InChIKey of mestranol is IMSSROKUHAOUJS-MJCUULBUSA-N.

What is the canonical SMILES of mestranol?

The canonical SMILES of mestranol is CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC.

What is the CAS number of mestranol?

The CAS number of mestranol is 72-33-3.

What is the European Community (EC) number of mestranol?

The European Community (EC) number of mestranol is 200-777-8.

What is the ChEMBL ID of mestranol?

The ChEMBL ID of mestranol is CHEMBL1201151.

What is the XLogP3 value of mestranol?

The XLogP3 value of mestranol is 4.