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Clarithromycin EP Impurity A

CAT: 0926-FC166203-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FC166203-02Size:2 mg
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CAS Number
124412-58-4
Synonyms
Clarithromycin F
Smiles
CC[C@@H]1C ([C@H] ([C@H] (C (=O) [C@@H] (C[C@@] ([C@H] ([C@@H] ([C@@H] ([C@@H] (C (=O) O1) CO) O[C@H]2C[C@@] ([C@H] ([C@@H] (O2) C) O) (C) OC) C) O[C@H]3[C@@H] ([C@H] (C[C@H] (O3) C) N (C) C) O) (C) OC) C) C) O) (C) O
Molecular Formula
C38H69NO14
Molecular Weight
763.95 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Clarithromycin F
CAS Number124412-58-4
PubChem CID77098501
IUPAC Name(3S,4S,5R,6S,7R,9R,11R,12S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3-(hydroxymethyl)-7-methoxy-5,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
Molecular FormulaC38H69NO14
Molecular Weight764.0
XLogP2.5
Topological Polar Surface Area203
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count53
Formal Charge0
Complexity1210
SMILES
CC[C@@H]1C([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@H]([C@@H]([C@@H]([C@@H](C(=O)O1)CO)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI
InChI=1S/C38H69NO14/c1-14-26-38(9,46)31(43)21(4)28(41)19(2)16-37(8,48-13)33(53-35-29(42)25(39(10)11)15-20(3)49-35)22(5)30(24(18-40)34(45)51-26)52-27-17-36(7,47-12)32(44)23(6)50-27/h19-27,29-33,35,40,42-44,46H,14-18H2,1-13H3/t19-,20-,21+,22-,23+,24+,25+,26-,27+,29-,30+,31+,32+,33+,35+,36-,37-,38?/m1/s1
InChIKey
JDKPAXGOJMGSAE-OKRVCPMNSA-N
Chemical Structure
2D Structure
2D structure of Clarithromycin F
CAS: 124412-58-4
CID: 77098501
Formula: C38H69NO14
MW: 764.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight764.0
XLogP32.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass763.47180587
Monoisotopic Mass763.47180587
Topological Polar Surface Area203 Ų
Heavy Atom Count53
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-C181301-01Clarithromycin EP Impurity A; Clarithromycin USP Impurity A (clarithromycin F)
RM-C181309-01Clarithromycin EP Impurity I; Clarithromycin USP Impurity I
RM-C181311-01Clarithromycin EP Impurity K; Clarithromycin USP Impurity K
RM-C181316-01Clarithromycin EP Impurity P; Clarithromycin USP Impurity P
RM-C181302-01Clarithromycin EP Impurity B; Clarithromycin USP Impurity B
RM-C181304-01Clarithromycin EP Impurity D; Clarithromycin USP Impurity D
RM-C181324-01Clarithromycin Impurity 24
RM-C181327-01Clarithromycin Impurity 27
RM-C181328-01Clarithromycin Impurity 28
RM-C181343-01Clarithromycin Impurity 43

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