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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H46N6O13.C11H20O2
Molecular Weight 798.919
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOMYCIN C UNDECYLENATE

SMILES

OC(=O)CCCCCCCCC=C.[H][C@@]3(O[C@@H]1[C@@H](O)[C@H](N)C[C@H](N)[C@@]1([H])O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@@H](O[C@@]4([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O

InChI

InChIKey=KTCZMQRSARZVHB-CITJEJKVSA-N
InChI=1S/C23H46N6O13.C11H20O2/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-2-3-4-5-6-7-8-9-10-11(12)13/h5-23,30-36H,1-4,24-29H2;2H,1,3-10H2,(H,12,13)/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C23H46N6O13
Molecular Weight 614.6437
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C11H20O2
Molecular Weight 184.2753
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:39:09 GMT 2023
Edited
by admin
on Sat Dec 16 11:39:09 GMT 2023
Record UNII
PA7Z9MHJ99
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOMYCIN C UNDECYLENATE
Common Name English
Code System Code Type Description
FDA UNII
PA7Z9MHJ99
Created by admin on Sat Dec 16 11:39:09 GMT 2023 , Edited by admin on Sat Dec 16 11:39:09 GMT 2023
PRIMARY
PUBCHEM
123133543
Created by admin on Sat Dec 16 11:39:09 GMT 2023 , Edited by admin on Sat Dec 16 11:39:09 GMT 2023
PRIMARY