U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H45N5O12
Molecular Weight 571.619
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTIKACIN

SMILES

[H][C@]3(O[C@H]1[C@@H](C[C@H](N)[C@@H](O[C@@]2([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O)NC[C@@H](O)CCN)O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O

InChI

InChIKey=OCFOTEIMZBKQFS-DGMGPCKZSA-N
InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H45N5O12
Molecular Weight 571.619
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Synthesis and antibacterial activities of 1-N [(S)-omega-amino-2-hydroxyalkyl] kanamycin A derivatives.
1977 Oct
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:30:17 GMT 2023
Edited
by admin
on Fri Dec 15 16:30:17 GMT 2023
Record UNII
I61243PDCC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTIKACIN
INN   USAN  
USAN   INN  
Official Name English
UK 18892
Code English
UK 18,892
Code English
butikacin [INN]
Common Name English
D-STREPTAMINE, O-3-AMINO-3-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->6)-O-(6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4))-N(SUP 1)-((S)-4-AMINO-2-HYDROXYBUTYL)-2-DEOXY-
Common Name English
O-3-AMINO-3-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->6)-O-(6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4))-N(SUP 1)-((S)-4-AMINO-2-HYDROXYBUTYL)-2-DEOXY-D-STREPTAMINE
Common Name English
UK-18892
Code English
UK-18,892
Code English
BUTIKACIN [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2363
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
Code System Code Type Description
FDA UNII
I61243PDCC
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
SMS_ID
100000088628
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
NCI_THESAURUS
C90637
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
INN
4592
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID301024236
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
ChEMBL
CHEMBL2304044
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
CAS
59733-86-7
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
PUBCHEM
11954318
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
EVMPD
SUB06017MIG
Created by admin on Fri Dec 15 16:30:17 GMT 2023 , Edited by admin on Fri Dec 15 16:30:17 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY