Identitate

Bicisate

CAS 121251-02-3 · C12H24N2O4S2

01Identitate

Lazychem IDLC-101128
CAS RN121251-02-3
PubChem CID72048
Molecular formulaC12H24N2O4S2
Molecular weight324.5 g/mol
IUPAC nameethyl (2R)-2-[2-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate
InChIKeyRZQNBTMGBODDSK-UWVGGRQHSA-N

02Structură și stereochimie

2D structurePubChem CID 72048
Two-dimensional chemical structure of Bicisate, CAS 121251-02-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count0
Secondary amines2
Tertiary amines0
SMILESCCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC
InChINu este indicat

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04Statut în India

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

05Denumiri și relații

API și medicament părinte

Nu este indicat

Denumiri și relații

  • Bicisate
  • 121251-02-3
  • UNII-3JXF0Z0XOI
  • 3JXF0Z0XOI
  • l-Cysteine, N,N'-1,2-ethanediylbis-, diethyl ester
  • l-Cysteine, N,N'-1,2-ethanediylbis-, 1,1'-diethyl ester
  • DTXSID0058728
  • DIETHYL (2R,2'R)-2,2'-(ETHANE-1,2-DIYLDIIMINO)BIS(3-MERCAPTOPROPANOATE)
  • RefChem:58078
  • DTXCID50820013
  • Bicisate (Free base)
  • ethyl (2R)-2-[2-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate

Impurități și compuși înrudiți

    06Surse