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Home/Compounds/Pharmaceutical Intermediate/(7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one
C34H51F5O3S
634.8 g/mol
Pharmaceutical Intermediate

(7ALPHA,17BETA)-17-(ACETYLOXY)-7-[9-[(4,4,5,5,5-PENTAFLUOROPENTYL)THIO]NONYL]ESTR-4-EN-3-ONE

CAS415927-29-6
Category
Pharmaceutical Intermediate
Compound Class
Steroid
Primary Use
Pharmaceutical Intermediate

This compound is a steroidal intermediate used in the synthesis of Fulvestrant, a pharmaceutical agent. It features a complex polycyclic structure with a long alkyl side chain containing both sulfur and multiple fluorine atoms, contributing to its high lipophilicity.

Fulvestrant intermediatePharmaceutical manufacturing intermediate

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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CAS 415927-29-6

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Related Compounds

SimilarStructure SimilarSimilarity 0.73

(7R,8R,9S,10R,13S,14S,17S)-7-(9-Bromononyl)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate

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(7a,17b)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate

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(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol

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(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol

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Allopurinol Impurity 9

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Identifiers
IUPAC Name

[(7R,8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

InChIKey

VAFUQFCTCUWBQD-YPTRIRRJSA-N

SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@H]34)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)C

Synonyms (6)
  • Fulvestrant Impurity 78