Tożsamość

Phenprocoumon-D5

CAS 121513-38-0 · C18H11D5O3

01Tożsamość

Lazychem IDLC-25083
CAS RN121513-38-0
PubChem CID76973618
Molecular formulaC18H11D5O3
Molecular weight285.35 g/mol
IUPAC name4-Hydroxy-3-(1-(phenyl-d5)propyl)-2H-chromen-2-one
InChIKeyDQDAYGNAKTZFIW-YQYLVRRTSA-N

02Struktura i stereochemia

2D structurePubChem CID 76973618
Two-dimensional chemical structure of Phenprocoumon-D5, CAS 121513-38-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESO=C1C(C(C2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])CC)=C(O)C3=C(O1)C=CC=C3
InChINie podano

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
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.

04Status w Indiach

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nazwy i powiązania

API i lek macierzysty

Phenprocoumon

Zanieczyszczenia i związki pokrewne

Nazwy i powiązania

    Zanieczyszczenia i związki pokrewne

    06Źródła