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(+)-(S,S,S)-Ciramadol

CAT: 0572-TRC-C490005-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C490005-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63269-30-7
Hazard Statement
No Data Available
Smiles
CN(C)[C@@H]([C@@H]1CCCC[C@@H]1O)c2cccc(O)c2
Molecular Formula
C15 H23 N O2
Molecular Weight
249.349
InChI
InChI=1S/C15H23NO2/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3/t13-,14+,15-/m1/s1
Additionnal Information
IUPAC name: 3-[(S)-dimethylamino-[(1S,2S)-2-hydroxycyclohexyl]methyl]phenol
Shipping Conditions
Room Temperature

Chemical Information

(+)-(S,S,S)-Ciramadol
CAS Number63269-30-7
PubChem CID124301466
IUPAC Name3-[(S)-dimethylamino-[(1S,2S)-2-hydroxycyclohexyl]methyl]phenol
Molecular FormulaC15H23NO2
Molecular Weight249.35
XLogP2.5
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity257
SMILES
CN(C)[C@@H]([C@@H]1CCCC[C@@H]1O)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO2/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3/t13-,14+,15-/m1/s1
InChIKey
UVTLONZTPXCUPU-QLFBSQMISA-N
Chemical Structure
2D Structure
2D structure of (+)-(S,S,S)-Ciramadol
CAS: 63269-30-7
CID: 124301466
Formula: C15H23NO2
MW: 249.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.35
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass249.172878976
Monoisotopic Mass249.172878976
Topological Polar Surface Area43.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count3
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
465061(+) - (S, S, S) -Ciramadol
AR-P02421-01(S, S, S, S) -Benzylposaconazole
465057-01(S, S, S, S) -Nebivolol
AR-O01425-01(S, S, S, S) -Orlistat
465056S, S, S, S, S-Trandolapril Hydrochloride
HY-125845B(S, S, S) -AHPC
HY-120217A(S, S, S) -VH032
465059(S, S, S) -Aprepitant
AR-P31415-01S, S, S-Triethyltetrathiophosphate
AR-P02400-01Posaconazole Diastereoisomer 9 (S, S, S, S)

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