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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H74N2O12
Molecular Weight 763.0111
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-DESETHYL-2-PROPYLAZITHROMYCIN

SMILES

[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]2[C@H](C)[C@@H](O[C@]3([H])O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CCC)OC(=O)[C@@H]2C

InChI

InChIKey=PMJMEZRLHVDXSC-SBXXAWCKSA-N
InChI=1S/C39H74N2O12/c1-15-16-28-39(10,47)32(43)25(6)41(13)20-21(2)18-37(8,46)34(53-36-30(42)27(40(11)12)17-22(3)49-36)23(4)31(24(5)35(45)51-28)52-29-19-38(9,48-14)33(44)26(7)50-29/h21-34,36,42-44,46-47H,15-20H2,1-14H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula C39H74N2O12
Molecular Weight 763.0111
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:52:41 UTC 2023
Edited
by admin
on Sat Dec 16 05:52:41 UTC 2023
Record UNII
2K60AFU8FY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-DESETHYL-2-PROPYLAZITHROMYCIN
Common Name English
AZITHROMYCIN IMPURITY O [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
2K60AFU8FY
Created by admin on Sat Dec 16 05:52:41 UTC 2023 , Edited by admin on Sat Dec 16 05:52:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID10227226
Created by admin on Sat Dec 16 05:52:41 UTC 2023 , Edited by admin on Sat Dec 16 05:52:41 UTC 2023
PRIMARY
CAS
763924-54-5
Created by admin on Sat Dec 16 05:52:41 UTC 2023 , Edited by admin on Sat Dec 16 05:52:41 UTC 2023
PRIMARY
PUBCHEM
71587794
Created by admin on Sat Dec 16 05:52:41 UTC 2023 , Edited by admin on Sat Dec 16 05:52:41 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP