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Azacosterol

CAT: 0127-BUP00919-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00919-04Size:25 mg
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CAS Number
313-05-3
Synonyms
IMD760, Diazasterol
Purity
=98%
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@H]2N(CCCN(C)C)C)[H]

Chemical Information

Azacosterol

Azacosterol is an aza-steroid.

CAS Number313-05-3
PubChem CID10023199
IUPAC Name(3S,8R,9S,10R,13S,14S,17S)-17-[3-(dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC25H44N2O
Molecular Weight388.6
XLogP4.7
Topological Polar Surface Area26.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity601
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N(C)CCCN(C)C)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI
InChI=1S/C25H44N2O/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4/h7,19-23,28H,6,8-17H2,1-5H3/t19-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey
FMTFZYKYVZBISL-HUVRVWIJSA-N
Chemical Structure
2D Structure
2D structure of Azacosterol
CAS: 313-05-3
CID: 10023199
Formula: C25H44N2O
MW: 388.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.6
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass388.345364031
Monoisotopic Mass388.345364031
Topological Polar Surface Area26.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19210657-01Azacosterol
HY-137089Azacosterol (dihydrochloride)
T71133-01Azacosterol hydrochloride
TRC-A313052-50MGAzacosterol-d3
TRC-A313053-25MGAzacosterol-d9
A13295-50Azacosterol dihydrochloride 50mg
A13295-25Azacosterol dihydrochloride 25mg
A13295-100Azacosterol dihydrochloride 100mg
A13295-5Azacosterol dihydrochloride 5mg
A13295-10Azacosterol dihydrochloride 10mg

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