Chemical identity

1,3’’-Di-HABA Kanamycin A

CAS 197909-66-3 · C26H50N6O15

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-01434
PubChem CID71316091
Name1,3’’-Di-HABA Kanamycin A
CAS RN197909-66-3
Molecular formulaC26H50N6O15
Molecular weight686.71 g/mol
IUPAC name(S)-4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-(((2S,3R,4S,5S,6R)-4-((S)-4-amino-2-hydroxybutanamido)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide
InChIKeyYJEDOCBINAXBLM-ZFLVPIEGSA-N

02Structure identifiers

2D structurePubChem CID 71316091
Two-dimensional chemical structure of 1,3’’-Di-HABA Kanamycin A, CAS 197909-66-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres10
Unassigned stereocentres7
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)NC(=O)[C@H](CCN)O)O)NC(=O)[C@H](CCN)O
InChINot listed
Formula from structureC26H50N6O15
Molecular weight from structure686.71 g/mol

03Stereochemistry

The published structure contains 10 defined and 7 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned
Unassigned centres7Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 131,072Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 197909-66-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 197909-66-3 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Amikacin

View API and impurity family

Other names

  • 1,3''-Di-HABA Kanamycin A
  • 197909-66-3
  • (2S)-4-Amino-N-[(1R,2S,5S)-5-amino-2-[(2S,4S,5S)-4-[[(2S)-4-amino-2-hydroxybutanoyl]amino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,5S)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
  • DTXSID10747631
  • AD21900
  • (2S)-4-Amino-N-[(1R,2S,5S)-5-amino-4-[(6-amino-6-deoxy-alpha-D-glycero-hexopyranosyl)oxy]-2-({3-[(2S)-4-amino-2-hydroxybutanamido]-3-deoxy-alpha-D-threo-hexopyranosyl}oxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide
  • (2S)-4-Amino-N-{(1R,2S,5S)-5-amino-4-[(6-amino-6-deoxy-alpha-D-glycero-hexopyranosyl)oxy]-2-[(3-{[(2S)-4-amino-2-hydroxybutanoyl]amino}-3-deoxy-alpha-D-threo-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources