1,3-Di-HABA Kanamycin A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H50N6O15
Molecular Weight	686.7064
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=HVNATBKIPCIZAA-NVZIBTGPSA-N

InChI=1S/C26H50N6O15/c27-3-1-10(34)23(42)31-8-5-9(32-24(43)11(35)2-4-28)22(47-26-19(40)18(39)16(37)12(6-29)44-26)20(41)21(8)46-25-17(38)14(30)15(36)13(7-33)45-25/h8-22,25-26,33-41H,1-7,27-30H2,(H,31,42)(H,32,43)/t8-,9+,10+,11+,12-,13-,14+,15-,16-,17-,18+,19-,20-,21+,22-,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H50N6O15
Molecular Weight	686.7064
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:11:57 GMT 2025` Edited by `admin` on `Wed Apr 02 17:11:57 GMT 2025`
Record UNII	ZXG8XXK4VX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Amikacin impurity B

Preferred Name

English

1,3-Di-HABA Kanamycin A

Common Name

English

(2S,2'S)-N,N'-((1S,3R,4S,5R,6R)-4-(((2S,3R,4S,5S,6R)-4-Amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5-hydroxycyclohexane-1,3-diyl)bis(4-amino-2-hydro

Systematic Name

English

D-Streptamine, O-3-amino-3-deoxy-?-D-glucopyranosyl-(1?6)-O-[6-amino-6-deoxy-?-D-glucopyranosyl-(1?4)]-N1,N3-bis[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-

Systematic Name

English

O-3-Amino-3-deoxy-?-D-glucopyranosyl-(1?6)-O-[6-amino-6-deoxy-?-D-glucopyranosyl-(1?4)]-N1,N3-bis[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-D-streptamine

Systematic Name

English

4-Amino-N-((1R,2S,5S)-5-((S)-4-amino-2-hydroxybutanamido)-2-(((2S,4S,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,5S)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanami

Systematic Name

English

Code System Code Type Description

CAS

927821-99-6

Created by admin on Wed Apr 02 17:11:57 GMT 2025 , Edited by admin on Wed Apr 02 17:11:57 GMT 2025

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FDA UNII

ZXG8XXK4VX

Created by admin on Wed Apr 02 17:11:57 GMT 2025 , Edited by admin on Wed Apr 02 17:11:57 GMT 2025

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EPA CompTox

DTXSID50747630

Created by admin on Wed Apr 02 17:11:57 GMT 2025 , Edited by admin on Wed Apr 02 17:11:57 GMT 2025

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PUBCHEM

102307373

Created by admin on Wed Apr 02 17:11:57 GMT 2025 , Edited by admin on Wed Apr 02 17:11:57 GMT 2025

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