Chemical identity

Fulvestrant EP Impurity B

CAS 98008-06-1 · C32H47F5O4S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-15923
PubChem CID10461567
NameFulvestrant EP Impurity B
CAS RN98008-06-1
Molecular formulaC32H47F5O4S
Molecular weight622.77 g/mol
IUPAC name7α -[9-(4,4,5,5,5-pentafluoropentane-1-sulfonyl)nonyl]es- tra- 1,3,5(10)-triene-3,17β-diol
InChIKeyNQYWBGDKCPOMGL-LSVBPWPTSA-N

02Structure identifiers

2D structurePubChem CID 10461567
2D structure: Fulvestrant EP Impurity B, CAS 98008-06-1
Structure of Fulvestrant EP Impurity B (CAS 98008-06-1). LazyChem record. Source identity: PubChem CID 10461567. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC32H47F5O4S
InChIKeyNQYWBGDKCPOMGL-LSVBPWPTSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F
InChIInChI=1S/C32H47F5O4S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-42(40,41)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+/m1/s1

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 98008-06-1 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 98008-06-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Fulvestrant

View API and impurity family

Other names

  • Fulvestrant 9-Sulfone
  • Fulvestrant Sulfone
  • UNII-55928538EN
  • FULVESTRANT IMPURITY B [EP IMPURITY]
  • 7.ALPHA.-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFONYL)NONYL)ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
  • ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFONYL)NONYL)-, (7.ALPHA.,17.BETA.)-
  • FULVESTRANT IMPURITY, FULVESTRANT SULFONE-(USP IMPURITY)
  • (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • Estra-1,3,5(10)-triene-3,17-diol,7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]nonyl]-, (7a,17b)-
  • (7a,17ss)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl]estra-1,3,5(10)-triene-3,17-diol

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources