U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C44H76N2O14S
Molecular Weight 889.144
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-N-DEMETHYL-3'-N-((4-METHYLPHENYL)SULFONYL)AZITHROMYCIN

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)S(=O)(=O)C4=CC=C(C)C=C4)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C

InChI

InChIKey=PAZSFKCLSYSRGC-XOZZEHTCSA-N
InChI=1S/C44H76N2O14S/c1-15-33-44(11,52)37(48)29(7)45(12)23-25(3)21-42(9,51)39(27(5)36(28(6)40(50)58-33)59-34-22-43(10,55-14)38(49)30(8)57-34)60-41-35(47)32(20-26(4)56-41)46(13)61(53,54)31-18-16-24(2)17-19-31/h16-19,25-30,32-39,41,47-49,51-52H,15,20-23H2,1-14H3/t25-,26-,27+,28-,29-,30+,32+,33-,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3'-N-DEMETHYL-3'-N-((4-METHYLPHENYL)SULFONYL)AZITHROMYCIN
Common Name English
AZITHROMYCIN IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
612069-31-5
Created by admin on Sat Dec 16 01:00:01 GMT 2023 , Edited by admin on Sat Dec 16 01:00:01 GMT 2023
PRIMARY
PUBCHEM
71315653
Created by admin on Sat Dec 16 01:00:01 GMT 2023 , Edited by admin on Sat Dec 16 01:00:01 GMT 2023
PRIMARY
FDA UNII
34G5B9N3QS
Created by admin on Sat Dec 16 01:00:01 GMT 2023 , Edited by admin on Sat Dec 16 01:00:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID60210128
Created by admin on Sat Dec 16 01:00:01 GMT 2023 , Edited by admin on Sat Dec 16 01:00:01 GMT 2023
PRIMARY
RS_ITEM_NUM
1A00840
Created by admin on Sat Dec 16 01:00:01 GMT 2023 , Edited by admin on Sat Dec 16 01:00:01 GMT 2023
PRIMARY