CAS 134931-01-4

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: (9z)-erythromycin a oxime, 13127-18-9, Erythromycin-9-oxime, 134931-01-4, Erythromycin a oxime, (3r,4s,5s,6r,7r,9r,10z,11s,12r,13s,14r)-6-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Molecular Formula

C₃₇H₆₈N₂O₁₃

Molecular Weight

748.9 g/mol

InChI Key

KYTWXIARANQMCA-PGYIPVOXSA-N

1 2D Structure

CAS 134931-01-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

2.1.2 InChI

InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27-/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

2.1.3 InChI Key

KYTWXIARANQMCA-PGYIPVOXSA-N

2.1.4 Canonical SMILES

CCC1C(C(C(C(=NO)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)O)C)C)O)(C)O

2.1.5 Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\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)(C)O)C)C)O)(C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. (9z)-erythromycin A Oxime

2. 13127-18-9

3. Erythromycin-9-oxime

4. 134931-01-4

5. Erythromycin A Oxime

6. (3r,4s,5s,6r,7r,9r,10z,11s,12r,13s,14r)-6-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

7. Roxithromycin Impurity C

8. Erythromycinoxime

9. Erythromycin [(e)-oxime]

10. Erythromycin [(z)-oxime]

11. Schembl8977511

12. 111321-02-9

13. Mfcd08062410

14. Akos015895597

15. Ru-28111

16. 127e189

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₇H₆₈N₂O₁₃
Molecular Weight	748.9 g/mol
XLogP3	3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Exact Mass	748.47214023 g/mol
Monoisotopic Mass	748.47214023 g/mol
Topological Polar Surface Area	209 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1210
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 134931-01-4 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?