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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H67NO13.H2O
Molecular Weight 751.9421
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERYTHROMYCIN MONOHYDRATE

SMILES

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

InChI

InChIKey=XGYMKYQKIUWFJD-YZPBMOCRSA-N
InChI=1S/C37H67NO13.H2O/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;1H2/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C37H67NO13
Molecular Weight 733.9268
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 Fri Dec 15 15:14:43 UTC 2023
Edited
by admin
on Fri Dec 15 15:14:43 UTC 2023
Record UNII
MZR3I81HK7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERYTHROMYCIN MONOHYDRATE
Common Name English
ERYTHROMYCIN, HYDRATE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
MZR3I81HK7
Created by admin on Fri Dec 15 15:14:43 UTC 2023 , Edited by admin on Fri Dec 15 15:14:43 UTC 2023
PRIMARY
CAS
67733-56-6
Created by admin on Fri Dec 15 15:14:43 UTC 2023 , Edited by admin on Fri Dec 15 15:14:43 UTC 2023
PRIMARY
PUBCHEM
88122
Created by admin on Fri Dec 15 15:14:43 UTC 2023 , Edited by admin on Fri Dec 15 15:14:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID501021826
Created by admin on Fri Dec 15 15:14:43 UTC 2023 , Edited by admin on Fri Dec 15 15:14:43 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE