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Ormeloxifene Hydrochloride

CAT: 1596-AR-O08841-03Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O08841-03Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51023-56-4
Synonyms
Centchroman hydrochloride; Ormeloxifene hydrochloride; 1-[2-[4-[ (3R,4R) -7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine; hydrochloride; 3,4-trans-2,2-Dimethyl-3-phenyl-4-p- (beta-pyrrolidinoethoxy) phenyl-7-methoxychroman HCl
Molecular Formula
C30H35NO3 : HCl
Molecular Weight
457.6 : 36.5
API Name
Ormeloxifene

Chemical Information

Ormeloxifene hydrochloride
CAS Number51023-56-4
PubChem CID3039688
IUPAC Name1-[2-[4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine;hydrochloride
Molecular FormulaC30H36ClNO3
Molecular Weight494.1
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity619
SMILES
CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C.Cl
InChI
InChI=1S/C30H35NO3.ClH/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31;/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3;1H/t28-,29+;/m1./s1
InChIKey
ZRGUGBSQWQXLHB-XZVFQGBBSA-N
Chemical Structure
2D Structure
2D structure of Ormeloxifene hydrochloride
CAS: 51023-56-4
CID: 3039688
Formula: C30H36ClNO3
MW: 494.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass493.2383717
Monoisotopic Mass493.2383717
Topological Polar Surface Area30.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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