Chemical identity

Clindamycin BP Impurity C

CAS 17431-55-9 · C18H34Cl2N2O5S

01Identity

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

Lazychem IDLC-11073
PubChem CID83836
NameClindamycin BP Impurity C
CAS RN17431-55-9
Molecular formulaC18H34Cl2N2O5S
Molecular weight461.44 g/mol
IUPAC nameMethyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl]amino]-1-thio-D-erythro-α-D-galacto-octopyranoside HCl ;
InChIKeyAUODDLQVRAJAJM-BOMBIWCESA-N

02Structure identifiers

2D structurePubChem CID 83836
2D structure: Clindamycin BP Impurity C, CAS 17431-55-9
Structure of Clindamycin BP Impurity C (CAS 17431-55-9). LazyChem record. Source identity: PubChem CID 83836. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H34Cl2N2O5S
InChIKeyAUODDLQVRAJAJM-BOMBIWCESA-N
Ring count2
Defined stereocentres9
Unassigned stereocentres0
SMILESCCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl.Cl
InChIInChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres92D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Clindamycin BP Impurity C, CAS 17431-55-9
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 17431-55-9 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 17431-55-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Clindamycin

View API and impurity family

Other names

  • 7-Epiclindamycin hydrochloride
  • 7-Epiclindamycin HCl
  • 7-Deoxy-7(R)-chlorolincomycin hydrochloride
  • D-erythro-D-galacto-Octopyranoside, methyl 7-(S)-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, hydrochloride, trans-alpha-
  • D-erythro-alpha-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(((1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, monohydrochloride, (2S-trans)-
  • (2S,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
  • hydrochloride
  • Methyl 7-chloro-6,7,8-trideoxy-6-({hydroxy[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]methylidene}amino)-1-thio-D-erythro-alpha-D-galacto-octopyranoside--hydrogen chloride (1/1)
  • Methyl 7-chloro-6,7,8-trideoxy-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside--hydrogen chloride (1/1)

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