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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H68N2O13
Molecular Weight 748.9414
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-(N,N-DIDEMETHYL)-3'-N-FORMYLAZITHROMYCIN

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](NC=O)[C@H]3O)[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=FSUFNIVRKKVCSI-HOQMJRDDSA-N
InChI=1S/C37H68N2O13/c1-13-26-37(10,46)30(42)23(6)39(11)17-19(2)15-35(8,45)32(52-34-28(41)25(38-18-40)14-20(3)48-34)21(4)29(22(5)33(44)50-26)51-27-16-36(9,47-12)31(43)24(7)49-27/h18-32,34,41-43,45-46H,13-17H2,1-12H3,(H,38,40)/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H68N2O13
Molecular Weight 748.9414
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 07:01:25 GMT 2023
Edited
by admin
on Sat Dec 16 07:01:25 GMT 2023
Record UNII
T0COS9HZPZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-(N,N-DIDEMETHYL)-3'-N-FORMYLAZITHROMYCIN
Common Name English
AZITHROMYCIN IMPURITY M [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
71316017
Created by admin on Sat Dec 16 07:01:25 GMT 2023 , Edited by admin on Sat Dec 16 07:01:25 GMT 2023
PRIMARY
RS_ITEM_NUM
1A00210
Created by admin on Sat Dec 16 07:01:25 GMT 2023 , Edited by admin on Sat Dec 16 07:01:25 GMT 2023
PRIMARY
CAS
765927-71-7
Created by admin on Sat Dec 16 07:01:25 GMT 2023 , Edited by admin on Sat Dec 16 07:01:25 GMT 2023
PRIMARY
FDA UNII
T0COS9HZPZ
Created by admin on Sat Dec 16 07:01:25 GMT 2023 , Edited by admin on Sat Dec 16 07:01:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID40227395
Created by admin on Sat Dec 16 07:01:25 GMT 2023 , Edited by admin on Sat Dec 16 07:01:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of content, multiply the peak area 0.6
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP