Chemical identity

Etacrynic Acid EP Impurity C / Ethacrynic Acid Related Compound C

CAS 25355-92-4 · C26H24Cl4O8

01Identity

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

Lazychem IDLC-14519
PubChem CID44461238
NameEtacrynic Acid EP Impurity C / Ethacrynic Acid Related Compound C
CAS RN25355-92-4
Molecular formulaC26H24Cl4O8
Molecular weight606.27 g/mol
IUPAC name({4-[2-(4-(Carboxymethoxy)-2,3-dichlorobenzoyl)-2,5-diethyl-3,4-dihydro-2H-pyran-6-yl]-2,3- dichlorophenoxy}acetic acid)
InChIKeySMYPMBZGOORDNT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 44461238
2D structure: Etacrynic Acid EP Impurity C / Ethacrynic Acid Related Compound C, CAS 25355-92-4
Structure of Etacrynic Acid EP Impurity C / Ethacrynic Acid Related Compound C (CAS 25355-92-4). LazyChem record. Source identity: PubChem CID 44461238. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC26H24Cl4O8
InChIKeySMYPMBZGOORDNT-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres1
SMILESCCC1=C(OC(CC1)(CC)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl
InChIInChI=1S/C26H24Cl4O8/c1-3-13-9-10-26(4-2,25(35)15-6-8-17(23(30)21(15)28)37-12-19(33)34)38-24(13)14-5-7-16(22(29)20(14)27)36-11-18(31)32/h5-8H,3-4,9-12H2,1-2H3,(H,31,32)(H,33,34)

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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 25355-92-4 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 25355-92-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ethacrynic Acid

View API and impurity family

Other names

  • Etacrynic Acid EP Impurity C
  • Ethacrynic Acid Related Compound C
  • [4-[2-(α-Carboxy-2,3-dichloro-p-anisoyl)-2,5-diethyl-3,4-dihydro-2H-pyran-6-yl]-2,3-dichlorophenoxy]acetic Acid
  • 2-(4-(2-(4-(Carboxymethoxy)-2,3-dichlorobenzoyl)-2,5-diethyl-3,4-dihydro-2H-pyran-6-yl)-2,3-dichlorophenoxy)acetic Acid
  • Ethacrynic acid dimer
  • UNII-T8HAY293UY
  • Etacrynic acid impurity C [EP]
  • 2-[4-[2-[4-(carboxymethoxy)-2,3-dichlorobenzoyl]-2,5-diethyl-3,4-dihydropyran-6-yl]-2,3-dichlorophenoxy]acetic acid
  • [2,3-Dichloro-4-[[6-[2,3-dichloro-4-(carboxymethoxy)phenyl]-2,5-diethyl-3,4-dihydro-2H-pyran-2-yl]carbonyl]phenoxy]acetic acid
  • Acetic acid, (4-(2-(4-(carboxymethoxy)-2,3-dichlorobenzoyl)-3,4-dihydro-2,5-diethyl-2H-pyran-6-yl)-2,3-dichlorophenoxy)-

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