Chemical identity

Closantel EP Impurity J

CAS 2731038-10-9 · C44H27Cl3I4N4O4

01Identity

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

Lazychem IDLC-11320
PubChem CID169436599
NameClosantel EP Impurity J
CAS RN2731038-10-9
Molecular formulaC44H27Cl3I4N4O4
Molecular weight1289.69 g/mol
IUPAC nameN-[5-Chloro-4-[[4-[[2-chloro-4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-5-methylphenyl]cyanomethyl]phenyl]-(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide
InChIKeyVTYYZVGCSAUOQZ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 169436599
2D structure: Closantel EP Impurity J, CAS 2731038-10-9
Structure of Closantel EP Impurity J (CAS 2731038-10-9). LazyChem record. Source identity: PubChem CID 169436599. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC44H27Cl3I4N4O4
InChIKeyVTYYZVGCSAUOQZ-UHFFFAOYSA-N
Ring count6
Defined stereocentres0
Unassigned stereocentres2
SMILESO=C(NC1=CC(Cl)=C(C(C2=CC=C(Cl)C=C2)(C3=CC=C(C(C4=CC(C)=C(NC(C5=CC(I)=CC(I)=C5O)=O)C=C4Cl)C#N)C=C3)C#N)C=C1C)C6=CC(I)=CC(I)=C6O
InChIInChI=1S/C44H27Cl3I4N4O4/c1-21-11-29(34(46)17-38(21)54-42(58)30-13-27(48)15-36(50)40(30)56)32(19-52)23-3-5-24(6-4-23)44(20-53,25-7-9-26(45)10-8-25)33-12-22(2)39(18-35(33)47)55-43(59)31-14-28(49)16-37(51)41(31)57/h3-18,32,56-57H,1-2H3,(H,54,58)(H,55,59)

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres22D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04India 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 2731038-10-9 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 2731038-10-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Closantel

View API and impurity family

Other names

  • Closantel Dimer
  • Closantel EP Impurity J/ Closantel Dimer

Related records from the same parent family

06Documented 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.

07Sources