Renejix: CDMO with expertise in small molecule oral dosage, delivery tech, and multi-modality manufacturing.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 Listed Suppliers

1 API Suppliers
1 Listed Suppliers

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 55224-05-0, Erythromycin cyclocarbonate, Erythromycin a cyclic 11,12-carbonate, Erythromycin a 11,12-carbonate, Erythromycin, cyclic 11,12-carbonate, 4h3125l82r

Molecular Formula

C₃₈H₆₅NO₁₄

Molecular Weight

759.9 g/mol

InChI Key

NKLGIWNNVDPGCA-ZDYKNUMJSA-N

FDA UNII

4H3125L82R

1 2D Structure

Erythromycin Cyclocarbonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione

2.1.2 InChI

InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31-,32-,34+,36-,37-,38-/m1/s1

2.1.3 InChI Key

NKLGIWNNVDPGCA-ZDYKNUMJSA-N

2.1.4 Canonical SMILES

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C

2.1.5 Isomeric SMILES

CC[C@@H]1[C@@]2([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]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C

2.2 Other Identifiers

2.2.1 UNII

4H3125L82R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cyclic 11,12-erythromycin A Carbonate

2. Erythromycin A Cyclic 11,12-carbonate

2.3.2 Depositor-Supplied Synonyms

1. 55224-05-0

2. Erythromycin Cyclocarbonate

3. Erythromycin A Cyclic 11,12-carbonate

4. Erythromycin A 11,12-carbonate

5. Erythromycin, Cyclic 11,12-carbonate

6. 4h3125l82r

7. Dravercin

8. (3ar,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-10-(((2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-4-ethyl-11-hydroxy-8-(((2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl)oxy)-3a,7,9,11,13,15-hexamethyldecahydro-6h-[1,3]dioxolo[4,5-c][1]oxacyclotetradecine-2,6,14(7h)-trione

9. Eritromicina A Carbonato

10. Cykliczny Weglan Erytromycyny A

11. Erythromycin A Cyclic Carbonate

12. Unii-4h3125l82r

13. Carbonato Ciclico De Eritromicina A

14. Eritromicina A Carbonato [spanish]

15. Cykliczny Weglan Erytromycyny A [polish]

16. Carbonato Ciclico De Eritromicina A [spanish]

17. Chembl4788726

18. Chebi:135881

19. Dtxsid801031707

20. S7550

21. Zinc95810519

22. Akos037515854

23. Ccg-270443

24. Cs-6076

25. Ncgc00386404-01

26. Erythromycin Cyclocarbonate [who-dd]

27. Hy-100584

28. Q27259580

29. (1r,2r,5r,6s,7s,8r,9r,11r,13r,14r)-8-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione

30. (3ar,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-10-(((2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-4-ethyl-11-hydroxy-8-(((2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl)oxy)-3a,7,9,11,13,15-hexamethyloctahy

31. (3ar,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-10-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-hydroxy-8-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3a,7,9,11,13,15-hexamethyl-tetradecahydro-[1,3]dioxolo[4,5-c]oxacyclotetradecane-2,6,14-trione

32. 11054-95-8

2.3.3 Other Synonyms

1. Dravercin

2. Erythromycin A 11,12-carbonate

3. Erythromycin A Cyclic Carbonate

4. Erythromycin Cyclocarbonate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₆₅NO₁₄
Molecular Weight	759.9 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Exact Mass	759.44050575 g/mol
Monoisotopic Mass	759.44050575 g/mol
Topological Polar Surface Area	189 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1300
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