Chemical identity

Josamycin EP Impurity G / Leucomycin A9

CAS 18361-49-4 · C37H61NO14

01Identity

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

Lazychem IDLC-17781
PubChem CID5282328
NameJosamycin EP Impurity G / Leucomycin A9
CAS RN18361-49-4
Molecular formulaC37H61NO14
Molecular weight743.88 g/mol
IUPAC name(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[4-O-(4-O-aAcetyl-2,6-dideoxy-3-C-methyl-a-L-ribo-hexopyranosyl)-3,6-dideoxy-3-(dimethylamino)-ß-D-glucopyranosyl]oxy]-4,10-dihydroxy-5-methoxy-9,16-dimethyl-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-2-one
InChIKeyLOJFCOBMHWVESZ-MXYURFFASA-N

02Structure identifiers

2D structurePubChem CID 5282328
2D structure: Josamycin EP Impurity G / Leucomycin A9, CAS 18361-49-4
Structure of Josamycin EP Impurity G / Leucomycin A9 (CAS 18361-49-4). LazyChem record. Source identity: PubChem CID 5282328. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC37H61NO14
InChIKeyLOJFCOBMHWVESZ-MXYURFFASA-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)C)(C)O)N(C)C)O)CC=O)C)O
InChIInChI=1S/C37H61NO14/c1-20-17-25(15-16-39)33(34(46-9)27(42)18-28(43)47-21(2)13-11-10-12-14-26(20)41)52-36-31(44)30(38(7)8)32(22(3)49-36)51-29-19-37(6,45)35(23(4)48-29)50-24(5)40/h10-12,14,16,20-23,25-27,29-36,41-42,44-45H,13,15,17-19H2,1-9H3/b11-10+,14-12+/t20-,21-,22-,23+,25+,26+,27-,29+,30-,31-,32-,33+,34+,35+,36+,37-/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 G / Leucomycin A9, CAS 18361-49-4
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 18361-49-4 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 18361-49-4 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 G
  • Leucomycin A9
  • Turimycin H2
  • [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
  • UNII-CP0O775YFL
  • LEUCOMYCIN V, 4B-ACETATE
  • Leucomycin V, 4(sup B)-acetate

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