Identita

Methyldopa EP Impurity C

CAS 39948-18-0 · C12H17NO4

01Identita

Lazychem IDLC-20099
CAS RN39948-18-0
PubChem CID195139
Molecular formulaC12H17NO4
Molecular weight239.27 g/mol
IUPAC name(2S)-2-amino-3-(3,4-dimethoxyphenyl)-2- methylpropanoic acid
InChIKeyQCCQWLWXLUTSAK-LBPRGKRZSA-N

02Struktura a stereochemie

2D structurePubChem CID 195139
Two-dimensional chemical structure of Methyldopa EP Impurity C, CAS 39948-18-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
SMILESC[C@](CC1=CC(=C(C=C1)OC)OC)(C(=O)O)N
InChINeuvedeno

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Methyldopa

Nečistoty a související sloučeniny

Názvy a vztahy

  • 3-Methoxy-O,alpha-dimethyl-L-tyrosine
  • 39948-18-0
  • (2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
  • UNII-X099OP8549
  • EINECS 254-711-8
  • L-3,4-DIMETHOXY-ALPHA-METHYLPHENYLALANINE
  • X099OP8549
  • 3,4-DIMETHOXYMETHYLDOPA
  • 3,4-O,O-DIMETHYLMETHYLDOPA
  • METHYLDOPA IMPURITY C [EP IMPURITY]
  • L-TYROSINE, 3-METHOXY-O,.ALPHA.-DIMETHYL-
  • RefChem:94617

Nečistoty a související sloučeniny

    06Zdroje