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Clarithromycin-N-methyl-13C, d3

CAT: 0572-TRC-C559754-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C559754-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2699608-30-3
Synonyms
6-O-Methylerythromycin-13C, d3; 6-O-Methylerythromycin A-13C, d3; A 56268-13C, d3; Abbott 56268-13C, d3; Antibiotic A 56268-13C, d3; Antibiotic TE 31-13C, d3; BIAXIN XL-13C, d3; Biaxin-13C, d3; CRIXAN OD-13C, d3; Clamicin-13C, d3; Claric-13C, d3; Claris-d3; Claritek-13C, d3; Clarith-13C, d3; Clarithro-13C, d3; Clathromycin-13C, d3; Crixan-13C, d3; Fascar-13C, d3; Fromilid-13C, d3; Kelamycin-13C, d3; Klacid-13C, d3; Klaribac-13C, d3; Klaricid-13C, d3; Klarithran eclar-13C, d3;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H][13C]([2H])([2H])N(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)[C@@H]1O
Molecular Formula
13C C37 H66 D3 N O13
Molecular Weight
751.9645
InChI
InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1/i11+1D3
Additionnal Information
IUPAC name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(trideuterio(1^{13}C)methyl)amino]tetrahydropyran-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Clarithromycin-13C-d3
CAS Number2699608-30-3
PubChem CID119057550
IUPAC Name(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(trideuterio(113C)methyl)amino]oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Molecular FormulaC38H69NO13
Molecular Weight752.0
XLogP3.2
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count52
Formal Charge0
Complexity1190
SMILES
[2H][13C]([2H])([2H])N(C)[C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)O)(C)O)CC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)C
InChI
InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1/i11+1D3
InChIKey
AGOYDEPGAOXOCK-NLMDYTMOSA-N
Chemical Structure
2D Structure
2D structure of Clarithromycin-13C-d3
CAS: 2699608-30-3
CID: 119057550
Formula: C38H69NO13
MW: 752.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight752.0
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass751.49907633
Monoisotopic Mass751.49907633
Topological Polar Surface Area183 Ų
Heavy Atom Count52
Formal Charge0
Complexity1190
Isotope Atom Count4
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-94841Clarithromycin N-Methyl-13C, d3
CS-O-45303Clarithromycin-N-methyl-13C-D3
444842Clarithromycin-N-methyl-13C, d3
AR-C03022-01Clarithromycin-13C-d3
HY-17508SClarithromycin-13C, d3
RM-C181334-01Clarithromycin-N-Methyl-D3
CS-P-0272714-Hydroxy clarithromycin-13C-d3
AR-C05374-01(14R) 14-Hydroxy Clarithromycin-13C-d3
C5829-01Clarithromycin-N-methyl-d3 (6-O-Methylerythromycin-N-methyl-d3)
sc-48275912-O-Methyl clarithromycin

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