Chemical identity

((7-(4-(4-(benzo[b]thiophen-7-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methoxy)methyl dodecanoate

CAS not listed · C39H53N3O5S

01Identity

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

Lazychem IDLC-00024
PubChem CID176545037
Name((7-(4-(4-(benzo[b]thiophen-7-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methoxy)methyl dodecanoate
CAS RNNot listed
Molecular formulaC39H53N3O5S
Molecular weight675.92 g/mol
IUPAC name((7-(4-(4-(benzo[b]thiophen-7-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methoxy)methyl dodecanoate
InChIKeyPABBNWPMYQHLFS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 176545037
2D structure: ((7-(4-(4-(benzo[b]thiophen-7-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methoxy)methyl dodecanoate
Structure of ((7-(4-(4-(benzo[b]thiophen-7-yl)piperazin-1-yl)butoxy)-2-oxoquinolin-1(2H)-yl)methoxy)methyl dodecanoate. LazyChem record. Source identity: PubChem CID 176545037. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC39H53N3O5S
InChIKeyPABBNWPMYQHLFS-UHFFFAOYSA-N
Ring count5
Defined stereocentres0
Unassigned stereocentres0
SMILESO=C1N(COCOC(CCCCCCCCCCC)=O)C2=CC(OCCCCN(CC3)CCN3C4=CC=CC5=C4SC=C5)=CC=C2C=C1
InChIInChI=1S/C39H53N3O5S/c1-2-3-4-5-6-7-8-9-10-16-38(44)47-31-45-30-42-36-29-34(19-17-32(36)18-20-37(42)43)46-27-12-11-22-40-23-25-41(26-24-40)35-15-13-14-33-21-28-48-39(33)35/h13-15,17-21,28-29H,2-12,16,22-27,30-31H2,1H3

03India 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.

04Names and relationships

Associated parent compound

Brexpiprazole

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

05Documented 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.

06Sources