Chemical identity

Josamycin EP Impurity E

CAS 40615-47-2 · C43H71NO15

01Identity

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

Lazychem IDLC-17779
PubChem CID6443528
NameJosamycin EP Impurity E
CAS RN40615-47-2
Molecular formulaC43H71NO15
Molecular weight842.02 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]-10-hydroxy-5-methoxy-9,16-dimethyl-7-(2-oxoethyl)-4-(propanoyloxy)oxacyclohexadeca-11,13-dien-2-one
InChIKeyMGVDOYIXWZRNIN-WTMIRVJVSA-N

02Structure identifiers

2D structurePubChem CID 6443528
2D structure: Josamycin EP Impurity E, CAS 40615-47-2
Structure of Josamycin EP Impurity E (CAS 40615-47-2). LazyChem record. Source identity: PubChem CID 6443528. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC43H71NO15
InChIKeyMGVDOYIXWZRNIN-WTMIRVJVSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres16
SMILESCCC(=O)OC1CC(=O)OC(C/C=C/C=C\C(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O)C
InChIInChI=1S/C43H71NO15/c1-12-32(47)56-31-22-34(49)53-26(5)16-14-13-15-17-30(46)25(4)21-29(18-19-45)39(40(31)52-11)59-42-37(50)36(44(9)10)38(27(6)55-42)58-35-23-43(8,51)41(28(7)54-35)57-33(48)20-24(2)3/h13-15,17,19,24-31,35-42,46,50-51H,12,16,18,20-23H2,1-11H3/b14-13+,17-15-

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres162D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 65,536Before 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 Josamycin EP Impurity E, CAS 40615-47-2
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 40615-47-2 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 40615-47-2 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

  • Yl 704 A1
  • Leucomycin V, 4(B)-(3-methylbutanoate) 3-propanoate
  • [6-[4-(dimethylamino)-5-hydroxy-6-[[(11Z,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate

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