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Clindamycin palmitate HCl 50mg

CAT: 0628-A11652-50Size: 50 mgDry Ice: NoHazardous: No
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CAS Number
25507-04-4

Chemical Information

Clindamycin Palmitate Hydrochloride

Clindamycin palmitate hydrochloride is a S-glycosyl compound.

CAS Number25507-04-4
PubChem CID16052038
IUPAC Name[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate;hydrochloride
Molecular FormulaC34H64Cl2N2O6S
Molecular Weight699.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count23
Heavy Atom Count45
Formal Charge0
Complexity810
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1SC)[C@@H]([C@H](C)Cl)NC(=O)[C@@H]2C[C@H](CN2C)CCC)O)O.Cl
InChI
InChI=1S/C34H63ClN2O6S.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4;/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41);1H/t24-,25+,26-,28+,29+,30-,31+,32+,34+;/m0./s1
InChIKey
GTNDZRUWKHDICY-DJHAJVGHSA-N
Chemical Structure
2D Structure
2D structure of Clindamycin Palmitate Hydrochloride
CAS: 25507-04-4
CID: 16052038
Formula: C34H64Cl2N2O6S
MW: 699.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight699.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count23
Exact Mass698.3862143
Monoisotopic Mass698.3862143
Topological Polar Surface Area134 Ų
Heavy Atom Count45
Formal Charge0
Complexity810
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