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Home >> Chemical Listing >> D >> (1R,3R)-1-[2,6-Difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β-difluoro-1,3,4,9-tetrahydro-3-methyl-2H-pyrido[3,4-b]indole-2-propanol

(1R,3R)-1-[2,6-Difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β-difluoro-1,3,4,9-tetrahydro-3-methyl-2H-pyrido[3,4-b]indole-2-propanol
[CAS# 1953133-47-5]

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Identification
Classification Organic raw materials >> Heterocyclic compound >> Indoles
Name (1R,3R)-1-[2,6-Difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β-difluoro-1,3,4,9-tetrahydro-3-methyl-2H-pyrido[3,4-b]indole-2-propanol
Synonyms GDC 9545; Giredestrant; RG 6171; RG-6171; RG6171
Molecular Structure CAS # 1953133-47-5, (1R,3R)-1-[2,6-Difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β-difluoro-1,3,4,9-tetrahydro-3-methyl-2H-pyrido[3,4-b]indole-2-propanol, GDC 9545, Giredestrant, RG 6171, RG-6171, RG6171
Molecular Formula C27H31F5N4O
Molecular Weight 522.55
CAS Registry Number 1953133-47-5
SMILES C(C(CO)(F)F)N1[C@@](C2=C(C=3C(N2)=CC=CC3)C[C@H]1C)(C4=C(F)C=C(NC5CN(CCCF)C5)C=C4F)[H]
Properties
Solubility Practically insoluble (0.011 g/L g/L) (25 ºC), Calc.*
pKa 13.68±0.10 (Most acidic 25 ºC), Calc.*
Density 1.333±0.06 g/cm3 (20 ºC 760 Torr), Calc.*
Boiling point 618.8±55.0 ºC (760 Torr), Calc.*
Flash point 328.1±31.5 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302-H315-H319-H335    Details
Precautionary Statements P261-P280-P301+P312-P302+P352-P305+P351+P338    Details
SDS Available
Market Analysis Reports
List of Reports Available for (1R,3R)-1-[2,6-Difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β-difluoro-1,3,4,9-tetrahydro-3-methyl-2H-pyrido[3,4-b]indole-2-propanol
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