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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H69NO14
Molecular Weight 775.9635
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYL-N-PROPANOYLERYTHROMYCIN A

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(=O)CC)[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=SPDJWXMXZVPSAJ-OGILNJMJSA-N
InChI=1S/C39H69NO14/c1-14-26-39(11,48)32(44)21(5)29(42)19(3)17-37(9,47)34(54-36-30(43)25(16-20(4)50-36)40(12)27(41)15-2)22(6)31(23(7)35(46)52-26)53-28-18-38(10,49-13)33(45)24(8)51-28/h19-26,28,30-34,36,43-45,47-48H,14-18H2,1-13H3/t19-,20-,21+,22+,23-,24+,25+,26-,28+,30-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula C39H69NO14
Molecular Weight 775.9635
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 16:53:59 UTC 2023
Edited
by admin
on Fri Dec 15 16:53:59 UTC 2023
Record UNII
8VUC2O6XEG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEMETHYL-N-PROPANOYLERYTHROMYCIN A
Common Name English
N-PROPIONYL-N-DEMETHYLERYTHROMYCIN A
Common Name English
ERYTHROMYCIN ESTOLATE IMPURITY G [EP IMPURITY]
Common Name English
ERYTHROMYCIN, N-DEMETHYL-N-(1-OXOPROPYL)-
Common Name English
ERYTHROMYCIN IMPURITY G
Common Name English
Code System Code Type Description
PUBCHEM
71587523
Created by admin on Fri Dec 15 16:53:59 UTC 2023 , Edited by admin on Fri Dec 15 16:53:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID30163793
Created by admin on Fri Dec 15 16:53:59 UTC 2023 , Edited by admin on Fri Dec 15 16:53:59 UTC 2023
PRIMARY
FDA UNII
8VUC2O6XEG
Created by admin on Fri Dec 15 16:53:59 UTC 2023 , Edited by admin on Fri Dec 15 16:53:59 UTC 2023
PRIMARY
CAS
147702-49-6
Created by admin on Fri Dec 15 16:53:59 UTC 2023 , Edited by admin on Fri Dec 15 16:53:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.14
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP