Chemical identity

Pantoprazole EP Impurity E

CAS 2115779-15-0 · C32H28F4N6O8S2

01Identity

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

Lazychem IDLC-24635
PubChem CID139033053
NamePantoprazole EP Impurity E
CAS RN2115779-15-0
Molecular formulaC32H28F4N6O8S2
Molecular weight764.72 g/mol
IUPAC name6,6′-bis (Difluoromethoxy)-2,2′-bis[[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]-1H,1′H-5,5′-bibenzimidazolyl
InChIKeyHTDAWOKDELVUAB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 139033053
2D structure: Pantoprazole EP Impurity E, CAS 2115779-15-0
Structure of Pantoprazole EP Impurity E (CAS 2115779-15-0). LazyChem record. Source identity: PubChem CID 139033053. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC32H28F4N6O8S2
InChIKeyHTDAWOKDELVUAB-UHFFFAOYSA-N
Ring count6
Defined stereocentres0
Unassigned stereocentres2
SMILESCOC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C(=C3)OC(F)F)C4=CC5=C(C=C4OC(F)F)N=C(N5)S(=O)CC6=NC=CC(=C6OC)OC)OC
InChIInChI=1S/C32H28F4N6O8S2/c1-45-23-5-7-37-21(27(23)47-3)13-51(43)31-39-17-9-15(25(49-29(33)34)11-19(17)41-31)16-10-18-20(12-26(16)50-30(35)36)42-32(40-18)52(44)14-22-28(48-4)24(46-2)6-8-38-22/h5-12,29-30H,13-14H2,1-4H3,(H,39,41)(H,40,42)

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 2115779-15-0 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 2115779-15-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Pantoprazole

View API and impurity family

Other names

  • Pantoprazole Dimer
  • 5-(difluoromethoxy)-6-[6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl]-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole
  • Pantoprazole Related Compound E
  • Pantoprazole BP Impurity E

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