Identitet

Dutasteride EP Impurity I/ Dutasteride β-Dimer/ Dutasteride Dimer 2

CAS 1648593-70-7 · C46H55F6N3O4

01Identitet

Lazychem IDLC-13649
CAS RN1648593-70-7
PubChem CID127258087
Molecular formulaC46H55F6N3O4
Molecular weight827.94 g/mol
IUPAC nameN-[2,5-Bis(Trifluoromethyl)phenyl]-3-oxo-4-[3-oxo-4-aza-5α-androst-1-ene-17β-carbonyl]-4-aza-5α-androst-1-ene-17β-carboxamide
InChIKeyVHEQRKYIOQGSHW-WUMOMAKDSA-N

02Struktur og stereokemi

2D structurePubChem CID 127258087
Two-dimensional chemical structure of Dutasteride EP Impurity I/ Dutasteride β-Dimer/ Dutasteride Dimer 2, CAS 1648593-70-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 9 rings, includes aromatic atoms, includes aliphatic carbon, has 14 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres14
Ring count9
Secondary amines0
Tertiary amines0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5C(=O)[C@H]6CC[C@@H]7[C@@]6(CC[C@H]8[C@H]7CC[C@@H]9[C@@]8(C=CC(=O)N9)C)C)C
InChIIkke angivet

03Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16,384Before 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.

04Status i Indien

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

05Navne og relationer

API og moderlægemiddel

Dutasteride

Urenheder og beslægtede forbindelser

Navne og relationer

  • Dutasteride Beta Dimer
  • 1648593-70-7
  • Dutasteride dimer 2
  • Dutasteride EP Impurity I
  • SJG228NT4N
  • UNII-SJG228NT4N
  • Dutasteride impurity I [EP]
  • (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-[2,5-Bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1-[[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinolin-7-yl]carbonyl]-1H-indeno[5,4-f]quinoline-7-carboxamide
  • N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-(3-oxo-4-aza-5alpha-androst-1-ene-17beta-carbonyl)-4-aza-5alpha-androst-1-ene-17beta-carboxamide
  • Dutasteride b-dimer
  • DUTASTERIDE IMPURITY I [EP IMPURITY]
  • (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(2,5-bis(trifluoromethyl)phenyl)-1-((4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carbonyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9

Urenheder og beslægtede forbindelser

06Kilder