Home Other Building Blocks Erythromycin, 2'-(ethyl butanedioate)

Erythromycin, 2'-(ethyl butanedioate)

CAS No.:
1264-62-6
Catalog Number:
AG000SQT
Molecular Formula:
C43H75NO16
Molecular Weight:
862.0527
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$60
- +
5g
98%(HPLC)
In Stock USA
United States
$115
- +
25g
98%(HPLC)
In Stock USA
United States
$356
- +
Product Description
Catalog Number:
AG000SQT
Chemical Name:
Erythromycin, 2'-(ethyl butanedioate)
CAS Number:
1264-62-6
Molecular Formula:
C43H75NO16
Molecular Weight:
862.0527
MDL Number:
MFCD00084692
IUPAC Name:
4-O-[(2S,3R,4S,6R)-4-(dimethylamino)-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]-6-methyloxan-3-yl] 1-O-ethyl butanedioate
InChI:
InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1
InChI Key:
NSYZCCDSJNWWJL-YXOIYICCSA-N
SMILES:
CCOC(=O)CCC(=O)OC1C(OC(CC1N(C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O
EC Number:
215-033-8
UNII:
1014KSJ86F
NSC Number:
756758
Properties
Complexity:
1450  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
18  
Defined Bond Stereocenter Count:
0
Exact Mass:
861.509g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
862.064g/mol
Monoisotopic Mass:
861.509g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
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Open-Label, parallel-group, multicenter, randomized study of cefprozil versus erythromycin in children with group A streptococcal pharyngitis/tonsillitis. Clinical therapeutics 20011101
Synergistic anti-Pneumocystis carinii effects of erythromycin and sulfisoxazole. Journal of acquired immune deficiency syndromes 19910101
Prolonged cholestasis and disappearance of interlobular bile ducts following chlorpropamide and erythromycin ethylsuccinate. Case of drug interaction? Liver 19881201
Properties