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6-Hydroxymethyl Exemestane

CAT: 0024-sc-490408Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490408Size:5 mg
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CAS Number
152764-26-6

Chemical Information

6-(Hydroxymethyl)androsta-1,4,6-triene-3,17-dione
CAS Number152764-26-6
PubChem CID71748876
IUPAC Name(8R,9S,10R,13S,14S)-6-(hydroxymethyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
Molecular FormulaC20H24O3
Molecular Weight312.4
XLogP1.7
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity683
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=C(C4=CC(=O)C=C[C@]34C)CO
InChI
InChI=1S/C20H24O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,9-10,14-16,21H,3-4,6,8,11H2,1-2H3/t14-,15-,16-,19+,20-/m0/s1
InChIKey
MNBSDZVEXCMDRX-DAELLWKTSA-N
Chemical Structure
2D Structure
2D structure of 6-(Hydroxymethyl)androsta-1,4,6-triene-3,17-dione
CAS: 152764-26-6
CID: 71748876
Formula: C20H24O3
MW: 312.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass312.17254462
Monoisotopic Mass312.17254462
Topological Polar Surface Area54.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity683
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
279449-016-Hydroxymethyl exemestane
TRC-H825512-25MG6-Hydroxymethyl Exemestane-d3
AR-E10903-01Exemestane Impurity 6
AR-E08989-01Epoxy Exemestane (6-alfa-Isomer)
TRC-F393940-25MG6-Formyl-17 -hydroxy-Exemestane
AR-E02265-01Epoxy Exemestane (6-beta Isomer)
AR-E10924-016-beta-Exemestane EP Impurity B (6-beta-Exemestane USP Related Compound B)
RM-E131929-01Epoxy Exemestane (6 Alpha , Beta Isomer)
AR-E10913-01Exemestane Impurity 18 (6-beta Isomer)
410796-01(1,2-α), (6,2') -Diepoxy Exemestane

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