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Clindamycin hydrochloride

CAT: 0862-GA5034-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0862-GA5034-1gSize:1 g
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CAS Number
21462-39-5
MDL Number
MFCD07793327
HS Code
29419000
Purity
800.00μg/mg
Molecular Formula
C18H33ClN2O5S · HCl · xH2O
Molecular Weight
461.44 (anhydrous)
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Clindamycin Hydrochloride

Clindamycin hydrochloride is a S-glycosyl compound.

CAS Number21462-39-5
PubChem CID16051951
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;hydrochloride
Molecular FormulaC18H34Cl2N2O5S
Molecular Weight461.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
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.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
InChIKey
AUODDLQVRAJAJM-XJQDNNTCSA-N
Chemical Structure
2D Structure
2D structure of Clindamycin Hydrochloride
CAS: 21462-39-5
CID: 16051951
Formula: C18H34Cl2N2O5S
MW: 461.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass460.1565488
Monoisotopic Mass460.1565488
Topological Polar Surface Area128 Ų
Heavy Atom Count28
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 Count2
Compound Is CanonicalizedYes

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