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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H72N2O11
Molecular Weight 732.9851
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZITHROMYCIN B

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@@H](C)[C@@H](CC)OC(=O)[C@@H]2C

InChI

InChIKey=JBYIGHZCRVMHAK-VINPOOLWSA-N
InChI=1S/C38H72N2O11/c1-15-28-22(4)30(41)25(7)40(13)19-20(2)17-37(9,45)34(51-36-31(42)27(39(11)12)16-21(3)47-36)23(5)32(24(6)35(44)49-28)50-29-18-38(10,46-14)33(43)26(8)48-29/h20-34,36,41-43,45H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30+,31-,32+,33+,34-,36+,37-,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H72N2O11
Molecular Weight 732.9851
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 05:55:03 UTC 2023
Edited
by admin
on Sat Dec 16 05:55:03 UTC 2023
Record UNII
59DVP7BUWJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZITHROMYCIN B
Common Name English
AZITHROMYCIN IMPURITY B [EP IMPURITY]
Common Name English
3-DEOXYAZITHROMYCIN
Common Name English
Code System Code Type Description
FDA UNII
59DVP7BUWJ
Created by admin on Sat Dec 16 05:55:03 UTC 2023 , Edited by admin on Sat Dec 16 05:55:03 UTC 2023
PRIMARY
PUBCHEM
71587690
Created by admin on Sat Dec 16 05:55:03 UTC 2023 , Edited by admin on Sat Dec 16 05:55:03 UTC 2023
PRIMARY
CAS
307974-61-4
Created by admin on Sat Dec 16 05:55:03 UTC 2023 , Edited by admin on Sat Dec 16 05:55:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID30184807
Created by admin on Sat Dec 16 05:55:03 UTC 2023 , Edited by admin on Sat Dec 16 05:55:03 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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