CAS 7704-67-8

Chemistry, 3 End Use API, 5 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

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MARKET PLACE

1 APIs

1 APIs

Also known as: 7704-67-8, Erythromycin, thiocyanate (salt), Y7a95yri88, Gallimycin, Erythromycin (thiocyanate), (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-oxacyclotetradecane-2,10-dione;thiocyanic acid

Molecular Formula

C₃₈H₆₈N₂O₁₃S

Molecular Weight

793.0 g/mol

InChI Key

WVRRTEYLDPNZHR-YZPBMOCRSA-N

FDA UNII

Y7A95YRI88

1 2D Structure

CAS 7704-67-8

2 Identification

2.1 Computed Descriptors

2.1.1 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-oxacyclotetradecane-2,10-dione;thiocyanic acid

2.1.2 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

2.1.3 InChI Key

WVRRTEYLDPNZHR-YZPBMOCRSA-N

2.1.4 Canonical 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)O)C)C)O)(C)O.C(#N)S

2.1.5 Isomeric 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)(C)O)C)C)O)(C)O.C(#N)S

2.2 Other Identifiers

2.2.1 UNII

Y7A95YRI88

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 7704-67-8

2. Erythromycin, Thiocyanate (salt)

3. Y7a95yri88

4. Gallimycin

5. Erythromycin (thiocyanate)

6. (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-oxacyclotetradecane-2,10-dione;thiocyanic Acid

7. Unii-y7a95yri88

8. Einecs 231-723-1

9. Erytrovet

10. Bactenix V 300

11. Ec 231-723-1

12. Schembl1426638

13. Hy-b0220d

14. Dtxsid50858755

15. Mfcd00072026

16. S5227

17. Akos015951286

18. Ccg-270484

19. Cs-0099550

20. Erythromycin Thiocyanate [green Book]

21. D07909

22. 704e678

23. Q-201068

24. Q27294346

25. Thiocyanic Acid, Compd. With Erythromycin (1:1)

26. (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

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₆₈N₂O₁₃S
Molecular Weight	793.0 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Exact Mass	792.44421140 g/mol
Monoisotopic Mass	792.44421140 g/mol
Topological Polar Surface Area	219 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1210
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	2

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Erythromycin Thiocynate

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CAS Number

7704-67082

End Use API

Roxithromycin

About the Company

Dorrapharma is engaged in R&D, manufacture and market of intermediate, API (Active Pharmaceutical Ingredi...

Dorrapharma is engaged in R&D, manufacture and market of intermediate, API (Active Pharmaceutical Ingredients) and formulation. We stick to raise the value both for the company and customer, and strive for serving for the society and caring of the others. We devote ourselves completely to the technology innovation and brand build, and make every effort to foster the core competence for the company. We are in a progress of becoming a global leading pharmaceutical server.

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