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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H72N2O12.2C4H7NO4
Molecular Weight 1015.1898
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZITHROMYCIN ASPARTATE

SMILES

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

InChI

InChIKey=UAWDWFWDDKYQDT-BZYZZCCFSA-N
InChI=1S/C38H72N2O12.2C4H7NO4/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;2*5-2(4(8)9)1-3(6)7/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*2H,1,5H2,(H,6,7)(H,8,9)/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;2*2-/m100/s1

HIDE SMILES / InChI

Molecular Formula C38H72N2O12
Molecular Weight 748.9845
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H7NO4
Molecular Weight 133.1027
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:32:11 UTC 2023
Edited
by admin
on Sat Dec 16 19:32:11 UTC 2023
Record UNII
7YDL43V3U2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZITHROMYCIN ASPARTATE
Common Name English
Azithromycin aspartate [WHO-DD]
Common Name English
L-Aspartic acid, compd. with (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy
Systematic Name English
Azithromycin diaspartate
Common Name English
Code System Code Type Description
FDA UNII
7YDL43V3U2
Created by admin on Sat Dec 16 19:32:11 UTC 2023 , Edited by admin on Sat Dec 16 19:32:11 UTC 2023
PRIMARY
PUBCHEM
164888940
Created by admin on Sat Dec 16 19:32:11 UTC 2023 , Edited by admin on Sat Dec 16 19:32:11 UTC 2023
PRIMARY
CAS
117772-73-3
Created by admin on Sat Dec 16 19:32:11 UTC 2023 , Edited by admin on Sat Dec 16 19:32:11 UTC 2023
PRIMARY
CAS
918525-67-4
Created by admin on Sat Dec 16 19:32:11 UTC 2023 , Edited by admin on Sat Dec 16 19:32:11 UTC 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY