Chemical identity

Josamycin EP Impurity H / Leucomycin A1

CAS 16846-34-7 · C40H67NO14

01Identity

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

Lazychem IDLC-17782
PubChem CID5282322
NameJosamycin EP Impurity H / Leucomycin A1
CAS RN16846-34-7
Molecular formulaC40H67NO14
Molecular weight785.96 g/mol
IUPAC name(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[3,6-Dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)-a-L-ribo-hexopyranosyl]-3-(dimethylamino)-ß-D-glucopyranosyl] oxy]-4,10-dihydroxy-5-methoxy-9,16-dimethyl-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-2-one
InChIKeyIEMDOFXTVAPVLX-YWQHLDGFSA-N

02Structure identifiers

2D structurePubChem CID 5282322
2D structure: Josamycin EP Impurity H / Leucomycin A1, CAS 16846-34-7
Structure of Josamycin EP Impurity H / Leucomycin A1 (CAS 16846-34-7). LazyChem record. Source identity: PubChem CID 5282322. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC40H67NO14
InChIKeyIEMDOFXTVAPVLX-YWQHLDGFSA-N
Ring count3
Defined stereocentres16
Unassigned stereocentres0
SMILESC[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O
InChIInChI=1S/C40H67NO14/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3/b12-11+,15-13+/t23-,24-,25-,26+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1

03Stereochemistry

The published structure contains 16 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres162D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 65,536Before 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

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 Josamycin EP Impurity H / Leucomycin A1, CAS 16846-34-7
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 16846-34-7 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 16846-34-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Josamycin

View API and impurity family

Other names

  • Josamycin EP Impurity H
  • Leucomycin A1
  • Kitasamycin A1
  • Turimycin H5
  • 3-Deacetyljosamycin
  • Leucomycin V 4-isovalerate
  • 3-O-Deacetyljosamycin
  • LM-A1
  • 9-Dihydroniddamycin
  • Leucomycin V, 4B-(3-methylbutanoate)
  • UNII-YX09Z4QW5Y

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