Erythromycin thiocyanateProduct ingredient for Erythromycin

Name

Erythromycin thiocyanate

Drug Entry

Erythromycin

Erythromycin is a bacteriostatic antibiotic drug produced by a strain of Saccharopolyspora erythraea (formerly Streptomyces erythraeus) and belongs to the macrolide group of antibiotics which consists of Azithromycin, Clarithromycin, Spiramycin and others. It was originally discovered in 1952.²⁰ Erythromycin is widely used for treating a variety of infections, including those caused by gram-positive and gram-negative bacteria.^20,21 It is available for administration in various forms, including intravenous, topical, and eye drop preparations.²⁰

See full entry for Erythromycin

Accession Number

DBSALT001625

Structure

Similar Structures

Synonyms

Not Available

UNII

Y7A95YRI88

CAS Number

7704-67-8

Weight

Average: 793.02
Monoisotopic: 792.444211432

Chemical Formula

C₃₈H₆₈N₂O₁₃S

InChI Key

WVRRTEYLDPNZHR-YZPBMOCRSA-N

InChI

InChI=1S/C37H67NO13.CHNS/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;2-1-3/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3H/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1

IUPAC Name

(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-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-1-oxacyclotetradecane-2,10-dione; sulfanylformonitrile

SMILES

SC#N.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O

External Links

ChemSpider: 75740

Predicted Properties

Property	Value	Source
Water Solubility	0.459 mg/mL	ALOGPS
logP	2.37	ALOGPS
logP	2.6	Chemaxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	12.44	Chemaxon
pKa (Strongest Basic)	8.38	Chemaxon
Physiological Charge	1	Chemaxon
Hydrogen Acceptor Count	13	Chemaxon
Hydrogen Donor Count	5	Chemaxon
Polar Surface Area	193.91 Å²	Chemaxon
Rotatable Bond Count	7	Chemaxon
Refractivity	186.04 m³·mol^-1	Chemaxon
Polarizability	79.36 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Erythromycin thiocyanateProduct ingredient for Erythromycin

Structure for Erythromycin thiocyanate (DBSALT001625)