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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H76N2O15
Molecular Weight 837.0465
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ROXITHROMYCIN, (Z)-

SMILES

[H][C@@]2(O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)\C(=N/OCOCCOC)[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@H]2C

InChI

InChIKey=RXZBMPWDPOLZGW-HEWSMUCTSA-N
InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1

HIDE SMILES / InChI

Molecular Formula C41H76N2O15
Molecular Weight 837.0465
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:24:06 GMT 2023
Edited
by admin
on Sat Dec 16 18:24:06 GMT 2023
Record UNII
7LG42MZ5GK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROXITHROMYCIN, (Z)-
Common Name English
ERYTHROMYCIN, 9-(O-((2-METHOXYETHOXY)METHYL)OXIME), (9Z)-
Systematic Name English
(Z)-ROXITHROMYCIN
Common Name English
Code System Code Type Description
FDA UNII
7LG42MZ5GK
Created by admin on Sat Dec 16 18:24:06 GMT 2023 , Edited by admin on Sat Dec 16 18:24:06 GMT 2023
PRIMARY
PUBCHEM
5480431
Created by admin on Sat Dec 16 18:24:06 GMT 2023 , Edited by admin on Sat Dec 16 18:24:06 GMT 2023
PRIMARY
CAS
134931-00-3
Created by admin on Sat Dec 16 18:24:06 GMT 2023 , Edited by admin on Sat Dec 16 18:24:06 GMT 2023
PRIMARY