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Lincomycin 2-Palmitate Hydrochloride

CAT: 0572-TRC-L466300-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L466300-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23295-14-9
Synonyms
trans-α-Methyl 6,8-Dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-D-erythro-D-galacto-octopyranoside 2-Palmitate Monohydrochloride; (2S-trans)-Methyl 6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-D-erythro-α-D-galacto-octopyranoside 2-Hexadecanoate Monohydrochloride;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C(CCCCCCCCCCCCCCC)OC1C(SC)OC(C(C(C)O)NC(C2N(CC(C2)CCC)C)=O)C(C1O)O.Cl
Molecular Formula
C34H65ClN2O7S
Molecular Weight
681.41
InChI
InChI=1S/C34H64N2O7S.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)37)35-33(41)26-22-25(20-7-2)23-36(26)4;/h24-26,28-32,34,37,39-40H,6-23H2,1-5H3,(H,35,41);1H
Additionnal Information
IUPAC name: 4,5-dihydroxy-6-(2-hydroxy-1-(1-methyl-4-propylpyrrolidine-2-carboxamido)propyl)-2-(methylthio)tetrahydro-2H-pyran-3-yl palmitate hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

[4,5-Dihydroxy-6-[2-hydroxy-1-[(1-methyl-4-propylpyrrolidine-2-carbonyl)amino]propyl]-2-methylsulfanyloxan-3-yl] hexadecanoate;hydrochloride
CAS Number23295-14-9
PubChem CID163304484
IUPAC Name[4,5-dihydroxy-6-[2-hydroxy-1-[(1-methyl-4-propylpyrrolidine-2-carbonyl)amino]propyl]-2-methylsulfanyloxan-3-yl] hexadecanoate;hydrochloride
Molecular FormulaC34H65ClN2O7S
Molecular Weight681.4
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Heavy Atom Count45
Formal Charge0
Complexity806
SMILES
CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1SC)C(C(C)O)NC(=O)C2CC(CN2C)CCC)O)O.Cl
InChI
InChI=1S/C34H64N2O7S.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)37)35-33(41)26-22-25(20-7-2)23-36(26)4;/h24-26,28-32,34,37,39-40H,6-23H2,1-5H3,(H,35,41);1H
InChIKey
REQJQMYQCAVWHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4,5-Dihydroxy-6-[2-hydroxy-1-[(1-methyl-4-propylpyrrolidine-2-carbonyl)amino]propyl]-2-methylsulfanyloxan-3-yl] hexadecanoate;hydrochloride
CAS: 23295-14-9
CID: 163304484
Formula: C34H65ClN2O7S
MW: 681.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight681.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Exact Mass680.4201013
Monoisotopic Mass680.4201013
Topological Polar Surface Area154 Ų
Heavy Atom Count45
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS6090045-01Lincomycin Hydrochloride ((2S-trans)-Methyl 6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-D-threo-a-D-galacto-octopyranoside)
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