Tapatybė

Aliskiren

Nenurodyta · C30H53N3O6

01Tapatybė

Lazychem IDLC-84545
CAS RNNenurodyta
PubChem CID5493444
Molecular formulaC30H53N3O6
Molecular weight551.8 g/mol
IUPAC name(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
InChIKeyUXOWGYHJODZGMF-QORCZRPOSA-N

02Struktūra ir stereochemija

2D structurePubChem CID 5493444
Two-dimensional chemical structure of Aliskiren
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
InChINenurodyta

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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

Nenurodyta

Pavadinimai ir ryšiai

    Priemaišos ir susiję junginiai

      06Šaltiniai