Chemical identity

(E)-4,4'-(1,3-Dihydroxybut-1-ene-1,3-diyl)bis(2-chlorobenzonitrile)

CAS not listed · C18H12Cl2N2O2

01Identity

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

Lazychem IDLC-12004
PubChem CID178248034
Name(E)-4,4'-(1,3-Dihydroxybut-1-ene-1,3-diyl)bis(2-chlorobenzonitrile)
CAS RNNot listed
Molecular formulaC18H12Cl2N2O2
Molecular weight359.2 g/mol
IUPAC name(E)-4,4'-(1,3-Dihydroxybut-1-ene-1,3-diyl)bis(2-chlorobenzonitrile)
InChIKeyUSULMWIGTCBHAX-CAOOACKPSA-N

02Structure identifiers

2D structurePubChem CID 178248034
2D structure: (E)-4,4'-(1,3-Dihydroxybut-1-ene-1,3-diyl)bis(2-chlorobenzonitrile)
Structure of (E)-4,4'-(1,3-Dihydroxybut-1-ene-1,3-diyl)bis(2-chlorobenzonitrile). LazyChem record. Source identity: PubChem CID 178248034. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H12Cl2N2O2
InChIKeyUSULMWIGTCBHAX-CAOOACKPSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESCC(O)(C1=CC=C(C(Cl)=C1)C#N)/C=C(C2=CC=C(C(Cl)=C2)C#N)/O
InChIInChI=1S/C18H12Cl2N2O2/c1-18(24,14-5-4-13(10-22)16(20)7-14)8-17(23)11-2-3-12(9-21)15(19)6-11/h2-8,23-24H,1H3/b17-8+

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 ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Darolutamide

View API and impurity family

Other names

  • Darolutamide Impurity 4

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