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Technical details about Ormeloxifene, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Hy-122359as, Cs-0371574
Molecular Formula
C30H35NO3
Molecular Weight
463.6  g/mol
InChI Key
XZEUAXYWNKYKPL-QWJKUPTNSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[2-[4-[(3S,4S)-7-methoxy-3-phenyl-2,2-bis(trideuteriomethyl)-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine
2.1.2 InChI
InChI=1S/C30H35NO3/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/t28-,29+/m0/s1/i1D3,2D3
2.1.3 InChI Key
XZEUAXYWNKYKPL-QWJKUPTNSA-N
2.1.4 Canonical SMILES
CC1(C(C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
2.1.5 Isomeric SMILES
[2H]C([2H])([2H])C1([C@@H]([C@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C([2H])([2H])[2H]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Hy-122359as

2. Cs-0371574

2.3 Create Date
2013-05-17
3 Chemical and Physical Properties
Molecular Weight 463.6 g/mol
Molecular Formula C30H35NO3
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass463.29935445 g/mol
Monoisotopic Mass463.29935445 g/mol
Topological Polar Surface Area30.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity619
Isotope Atom Count6
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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