पहचान

Cangrelor Impurity 12

सूचीबद्ध नहीं · C17H25Cl2F3N5O13P3S2

01पहचान

Lazychem IDLC-36092
CAS RNसूचीबद्ध नहीं
PubChem CID118983401
Molecular formulaC17H25Cl2F3N5O13P3S2
Molecular weight792.4 g/mol
IUPAC name[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfinylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
InChIKeyIAEMQTNILQGVGK-ARUQMLQPSA-N

02संरचना और त्रिविम रसायन

2D structurePubChem CID 118983401
Two-dimensional chemical structure of Cangrelor Impurity 12
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, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines1
Tertiary amines0
SMILESCS(=O)CCNC1=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)O)(Cl)Cl)O)O)O
InChIसूचीबद्ध नहीं

03Stereochemistry

The published structure contains 4 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres3Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 128Before 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.

04भारत में स्थिति

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

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