Chemical identity

Dihydrostreptomycin Sulfate EP Impurity B (Free Base)

CAS not listed · C27H51N7O17

01Identity

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

Lazychem IDLC-31698
PubChem CID101935234
NameDihydrostreptomycin Sulfate EP Impurity B (Free Base)
CAS RNNot listed
Molecular formulaC27H51N7O17
Molecular weight745.73 g/mol
IUPAC nameN1, N3-dicarbamimidoyl-4-O-[5-deoxy-2-O-[2-deoxy-4-O-β-d-mannopyranosyl-2-(methylamino)-α-l-glucopyranosyl]-3-C-(hydroxymethyl)-α-l-lyxofuranosyl]-d-streptamine
InChIKeyBTRPPVVWMSYGGD-FJYWXVICSA-N

02Structure identifiers

2D structurePubChem CID 101935234
Two-dimensional chemical structure of Dihydrostreptomycin Sulfate EP Impurity B (Free Base)
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 20 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres20
Unassigned stereocentres0
Ring count4
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)NC)(CO)O
InChINot listed
Formula from structureC27H51N7O17
Molecular weight from structure745.73 g/mol

03Stereochemistry

The published structure contains 20 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres20Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,048,576Before 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.

04Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Dihydrostreptomycin Sulfate EP Impurity B (Free Base) with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Dihydrostreptomycin Sulfate EP Impurity B (Free Base), with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C27H50N8O18
Candidate SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]2N=C(N)N)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@@H]2N(C)N=O)[C@@]1(O)CO

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

05India 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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

06Names and relationships

Associated parent compound

Dihydrostreptomycin Sulfate

View API and impurity family

Other names

  • Dihydrostreptomycin B

Related records from the same parent family

07Documented 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.

08Sources