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Triamcinolone-13C3 Acetonide

CAT: 1596-AR-T02923-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02923-01Size:10 Units
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CAS Number
1264131-86-3
Synonyms
(11?,16?) -9-Fluoro-11,21-dihydroxy-16,17-[ (1-methylethylidene) bis (oxy) ]-pregna-1,4-diene-3,20-dione-13C3; Adcortyl-13C3; Azmacort-13C3; Delphicort-13C3; Extracort-13C3; Ftorocort-13C3; Kenacort-A-13C3; Tramacin-13C3; Triam-13C3
Molecular Formula
C24H31FO6
Molecular Weight
437.48
API Name
Triamcinolone

Chemical Information

Triamcinolone-13C3 Acetonide
CAS Number1264131-86-3
PubChem CID46783137
IUPAC Name(1S,9S,11S,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6,6-di((113C)methyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC24H31FO6
Molecular Weight437.5
XLogP2.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity925
SMILES
C[C@]12C[C@@H](C3([C@H](C1CC4C2(O[13C](O4)([13CH3])[13CH3])C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI
InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16?,17-,19?,21-,22-,23?,24?/m0/s1/i1+1,2+1,20+1
InChIKey
YNDXUCZADRHECN-NULWQFMMSA-N
Chemical Structure
2D Structure
2D structure of Triamcinolone-13C3 Acetonide
CAS: 1264131-86-3
CID: 46783137
Formula: C24H31FO6
MW: 437.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass437.22053137
Monoisotopic Mass437.22053137
Topological Polar Surface Area93.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity925
Isotope Atom Count3
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-220322Triamcinolone-13C3 Acetonide
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