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Clindamycin hydrochloride monohydrate

CAT: 0127-BUP17298-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17298-01Size:100 mg
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CAS Number
58207-19-5
Synonyms
Clindamycin alcoholate
Purity
=98%
Smiles
O.Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O

Chemical Information

Clindamycin Hydrochloride Monohydrate

Clindamycin Hydrochloride Monohydrate is the monohydrate hydrochloride salt form of clindamycin, a semi-synthetic, chlorinated broad spectrum antibiotic produced by chemical modification of lincomycin.

CAS Number58207-19-5
PubChem CID53302336
IUPAC Name(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrate;hydrochloride
Molecular FormulaC18H36Cl2N2O6S
Molecular Weight479.5
Topological Polar Surface Area129
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity502
SMILES
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl.O.Cl
InChI
InChI=1S/C18H33ClN2O5S.ClH.H2O/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;1H2/t9-,10+,11-,12+,13-,14+,15+,16+,18+;;/m0../s1
InChIKey
KWMXKEGEOADCEQ-WNNJHRBUSA-N
Chemical Structure
2D Structure
2D structure of Clindamycin Hydrochloride Monohydrate
CAS: 58207-19-5
CID: 53302336
Formula: C18H36Cl2N2O6S
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass478.1671134
Monoisotopic Mass478.1671134
Topological Polar Surface Area129 Ų
Heavy Atom Count29
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19201979-01Clindamycin hydrochloride monohydrate
HY-N7118Clindamycin (hydrochloride monohydrate)
HY-N7118RClindamycin (hydrochloride monohydrate) (Standard)
C035-100MGClindamycin Hydrochloride
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