Chemical identity

Bazedoxifene Impurity 1

CAS 1802552-29-9 · C44H46N2O3

01Identity

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

Lazychem IDLC-07711
PubChem CID70799166
NameBazedoxifene Impurity 1
CAS RN1802552-29-9
Molecular formulaC44H46N2O3
Molecular weight650.86 g/mol
IUPAC name3-(4-(2-(azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-3H-indole
InChIKeyGORBWRFPFNKKQS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 70799166
2D structure: Bazedoxifene Impurity 1, CAS 1802552-29-9
Structure of Bazedoxifene Impurity 1 (CAS 1802552-29-9). LazyChem record. Source identity: PubChem CID 70799166. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC44H46N2O3
InChIKeyGORBWRFPFNKKQS-UHFFFAOYSA-N
Ring count7
Defined stereocentres0
Unassigned stereocentres1
SMILESCC1(C2=C(C=CC(=C2)OCC3=CC=CC=C3)N=C1C4=CC=C(C=C4)OCC5=CC=CC=C5)CC6=CC=C(C=C6)OCCN7CCCCCC7
InChIInChI=1S/C44H46N2O3/c1-44(31-34-16-20-38(21-17-34)47-29-28-46-26-10-2-3-11-27-46)41-30-40(49-33-36-14-8-5-9-15-36)24-25-42(41)45-43(44)37-18-22-39(23-19-37)48-32-35-12-6-4-7-13-35/h4-9,12-25,30H,2-3,10-11,26-29,31-33H2,1H3

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 1802552-29-9 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 1802552-29-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Bazedoxifene

View API and impurity family

Other names

No synonyms are listed.

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