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Clindamycin 2-palmitate sulfoxide

CAT: 0926-BKD92892-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BKD92892-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2126928-92-3
Smiles
CC1=C (C=CC (=N1) OC) C2CCCN2C (=O) C
Molecular Formula
C34H64Cl2N2O7S
Molecular Weight
715.9 g/mol
Controlled
No

Chemical Information

Clindamycin Palmitate Sulfoxide Hydrochloride
CAS Number2126928-92-3
PubChem CID138453967
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-methylsulfinyloxan-3-yl] hexadecanoate;hydrochloride
Molecular FormulaC34H64Cl2N2O7S
Molecular Weight715.9
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Heavy Atom Count46
Formal Charge0
Complexity883
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1S(=O)C)[C@@H]([C@H](C)Cl)NC(=O)[C@@H]2C[C@H](CN2C)CCC)O)O.Cl
InChI
InChI=1S/C34H63ClN2O7S.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)43-32-30(40)29(39)31(44-34(32)45(5)42)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+,45?;/m0./s1
InChIKey
LOZNDBOPPCRFGL-DOSKGTRMSA-N
Chemical Structure
2D Structure
2D structure of Clindamycin Palmitate Sulfoxide Hydrochloride
CAS: 2126928-92-3
CID: 138453967
Formula: C34H64Cl2N2O7S
MW: 715.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight715.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Exact Mass714.3811289
Monoisotopic Mass714.3811289
Topological Polar Surface Area145 Ų
Heavy Atom Count46
Formal Charge0
Complexity883
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-51184Clindamycin Palmitate Sulfoxide
AR-C07957-01Clindamycin Sulfoxide 2-Palmitate Isomer
AR-C03127-01Clindamycin Palmitate Sulfoxide HCl
CS-O-35317Clindamycin Sulfoxide palmitate isomer
TRC-C580025-5MGClindamycin Palmitate Sulfoxide Hydrochloride (>90%)
AR-C07989-01Clindamycin Palmitate Sulfoxide HCl (Mixture of Diastereomers)
CS-T-51185Clindamycin 2-Phosphate Sulfoxide
TRC-C593990-10MGClindamycin 2-Phosphate-(S)-Sulfoxide
CS-O-33317Clindamycin 2-Phosphate Sulfoxide Isomer A
TRC-C334950-25MGClindamycin 2-Phosphate-(R)-Sulfoxide

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