Identidade

(+-)-Monastrol

Não indicado · C14H16N2O3S

01Identidade

Lazychem IDLC-90236
CAS RNNão indicado
PubChem CID2987927
Molecular formulaC14H16N2O3S
Molecular weight292.36 g/mol
IUPAC nameethyl 4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChIKeyLOBCDGHHHHGHFA-UHFFFAOYSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 2987927
Two-dimensional chemical structure of (+-)-Monastrol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count2
Secondary amines2
Tertiary amines0
SMILESCCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C
InChINão indicado

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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Não indicado

Nomes e relações

    Impurezas e compostos relacionados

      06Fontes