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Clindamycin-d3 Hydrochloride

CAT: 0572-TRC-C580002-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C580002-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1356933-72-6
Synonyms
(2S-trans)-Methyl 7-Chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-(methyl-d3)-4-propyl-2-
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cl.[2H]C([2H])([2H])N1C[C@H](CCC)C[C@H]1C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O
Molecular Formula
C18H30D3ClN2O5S . HCl
Molecular Weight
464.46
InChI
InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10?,11-,12?,13+,14+,15-,16?,18+;/m0./s1/i3D3;
Additionnal Information
IUPAC name: (2S)-N-(2-chloro-1-((3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-(methyl-d3)-4-propylpyrrolidine-2-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Clindamycin-d3 Hydrochloride
CAS Number1356933-72-6
PubChem CID46781042
IUPAC Name(2S)-N-[2-chloro-1-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-propyl-1-(trideuteriomethyl)pyrrolidine-2-carboxamide;hydrochloride
Molecular FormulaC18H34Cl2N2O5S
Molecular Weight464.5
Topological Polar Surface Area128
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity502
SMILES
[2H]C([2H])([2H])N1CC(C[C@H]1C(=O)NC(C2[C@@H]([C@H]([C@@H]([C@H](O2)SC)O)O)O)C(C)Cl)CCC.Cl
InChI
InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10?,11-,12?,13+,14+,15-,16?,18+;/m0./s1/i3D3;
InChIKey
AUODDLQVRAJAJM-QCGDUVFOSA-N
Chemical Structure
2D Structure
2D structure of Clindamycin-d3 Hydrochloride
CAS: 1356933-72-6
CID: 46781042
Formula: C18H34Cl2N2O5S
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass463.1753790
Monoisotopic Mass463.1753790
Topological Polar Surface Area128 Ų
Heavy Atom Count28
Formal Charge0
Complexity502
Isotope Atom Count3
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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