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14-Hydroxy clarithromycin

CAT: 0926-REA83641-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-REA83641-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116836-41-0
Smiles
CCC1C (C (C (C (=O) C (CC (C (C (C (C (C (=O) O1) C) OC2CC (C (C (O2) C) O) (C) OC) C) OC3C (C (CC (O3) C) N (C) C) O) (C) OC) C) C) O) (C) O
Molecular Formula
C38H69NO13
Molecular Weight
748 g/mol
Controlled
No

Chemical Information

6-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

See also: Clarithromycin (annotation moved to).

CAS Number116836-41-0
PubChem CID4663848
IUPAC Name6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Molecular FormulaC38H69NO13
Molecular Weight748.0
XLogP3.2
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count52
Formal Charge0
Complexity1190
SMILES
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
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
InChIKey
AGOYDEPGAOXOCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CAS: 116836-41-0
CID: 4663848
Formula: C38H69NO13
MW: 748.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.0
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass747.47689126
Monoisotopic Mass747.47689126
Topological Polar Surface Area183 Ų
Heavy Atom Count52
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count18
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-C24176-0114-Hydroxy clarithromycin
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AR-C05374-01(14R) 14-Hydroxy Clarithromycin-13C-d3
AR-C05375-01(14S) -Hydroxy Clarithromycin
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