N-Demethyl-N-formylerythromycin

CAT: 1596-AR-E01819-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E01819-01Size:10 Units

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CAS Number

127955-44-6

Synonyms

N- ((2S,3R,4S,6R) -2- (((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R) -14-ethyl-7,12,13-trihydroxy-4- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl) oxy) -3-hydroxy-6-methyltetrahydro-2H-pyran-4-yl) -N-methylformamide; N-Demethyl-N-formylerythromycin; Oxacyclotetradecane, Erythromycin Derivative; N- ((2S,3R,4S,6R) -2- (((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R) -14-ethyl-7,12,13-Trihydroxy-4- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl) oxy) -3-hydroxy-6-methyltetrahydro-2H-pyran-4-yl) -N-methylformamide

Molecular Formula

C37H65NO14

Molecular Weight

747.92

API Name

Erythromycin

Chemical Information

Erythromycin EP Impurity L

CAS Number	127955-44-6
PubChem CID	102578285
IUPAC Name	N-[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N-methylformamide
Molecular Formula	C37H65NO14
Molecular Weight	747.9
XLogP	2.2
Topological Polar Surface Area	211
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Heavy Atom Count	52
Formal Charge	0
Complexity	1220

SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)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)O)(C)O)C)C)O)(C)O

InChI

InChI=1S/C37H65NO14/c1-13-25-37(10,46)30(42)20(4)27(40)18(2)15-35(8,45)32(52-34-28(41)24(38(11)17-39)14-19(3)48-34)21(5)29(22(6)33(44)50-25)51-26-16-36(9,47-12)31(43)23(7)49-26/h17-26,28-32,34,41-43,45-46H,13-16H2,1-12H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

InChIKey

GTUJGRXTLVETBU-RWJQBGPGSA-N

Chemical Structure

2D Structure

CAS: 127955-44-6

CID: 102578285

Formula: C37H65NO14

MW: 747.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	747.9
XLogP3	2.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Exact Mass	747.44050575
Monoisotopic Mass	747.44050575
Topological Polar Surface Area	211 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1220
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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N-Demethyl-N-formylerythromycin

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