Basic information
- CAS
51423-20-2- Standard SMILES
COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1- InChIKey
XZEUAXYWNKYKPL-UHFFFAOYSA-N- Molecular formula
- C30H35NO3
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.26169398
Overview
Ormeloxifene is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, cis-
- IUPAC
- 1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethyl]pyrrolidine
- English name
- 1-[2-[4-(2,2-Dimethyl-7-methoxy-3-phenylchroman-4-yl)phenoxy]ethyl]pyrrolidine
- Molecular formula
- C30H35NO3
- Molecular weight
- 457.6
Names & synonyms
51423-20-2NSC 147956BRN 6075091Pyrrolidine, 1-(2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, cis-RefChem:3779721-[2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethyl]pyrrolidinecis-OrmeloxifeneNCGC00181100-01CHEMBL154126SCHEMBL6394045DTXSID60860460CHEBI:135742
Show more names
1-(2-(4-(cis-7-Methoxy-2,2-dimethyl-3-phenylchroman-4-yl)phenoxy)ethyl)pyrrolidinePyrrolidine, 1-[2-[4-[(3R,4S)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl]phenoxy]ethyl]-, rel-
1-(2-{4-[(3R,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-1-benzopyran-4-yl]phenoxy}ethyl)pyrrolidineNSC147956NSC-1479561-[2-[4-(2,2-Dimethyl-7-methoxy-3-phenylchroman-4-yl)phenoxy]ethyl]pyrrolidine1-{2-[4-(7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-1-benzopyran-4-yl)phenoxy]ethyl}pyrrolidine
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 556.348 · 556.348±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.616 · 9.616±0.20(predicted)
Chemistry & industry
Applications
Usesrac-cis-Centchroman is an oral contraceptive; A selective ligand for the antiestrogen-binding site.Also, it is derived from Centchroman (C256600), is an estrogen antagonist. Centchroman is a synthetic nonsteroidal postcoital antifertility agent.
Suppliers4 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Additional notes
DefinitionChEBI: Ormeloxifene is a member of flavonoids and an ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…