Tapatybė

Cangrelor Dimer

CAS 2353388-08-4 · C33H46Cl2F6N10O18P4S4

01Tapatybė

Lazychem IDLC-09302
CAS RN2353388-08-4
PubChem CID155107409
Molecular formulaC33H46Cl2F6N10O18P4S4
Molecular weight1307.83 g/mol
IUPAC nameCangrelor Dimer
InChIKeyMWROSHVXAIMDFF-DWVGVLABSA-N

02Struktūra ir stereochemija

2D structurePubChem CID 155107409
Two-dimensional chemical structure of Cangrelor Dimer, CAS 2353388-08-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres8
Ring count6
Secondary amines2
Tertiary amines0
SMILESCSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=C(N=C65)SCCC(F)(F)F)NCCSC)O)O)(Cl)Cl)O)O)O
InChINenurodyta

03Stereochemistry

The published structure contains 8 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres4Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4,096Before 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.

04Statusas Indijoje

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

05Pavadinimai ir ryšiai

API ir pirminis vaistas

Cangrelor

Priemaišos ir susiję junginiai

Pavadinimai ir ryšiai

  • Cangrelor Impurity 9
  • SCHEMBL22416890
  • MWROSHVXAIMDFF-DWVGVLABSA-N
  • 2353388-08-4

Priemaišos ir susiję junginiai

06Šaltiniai