1-Azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol

Modify Date: 2025-10-10 23:01:49

1-Azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol Structure
1-Azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol structure
Common Name 1-Azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol
CAS Number 57734-75-5 Molecular Weight 305.45800
Density 1.33g/cm3 Boiling Point 442.5ºC at 760mmHg
Molecular Formula C16H19NOS2 Melting Point N/A
MSDS N/A Flash Point 221.4ºC

 Names

Name 1-Azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.33g/cm3
Boiling Point 442.5ºC at 760mmHg
Molecular Formula C16H19NOS2
Molecular Weight 305.45800
Flash Point 221.4ºC
Exact Mass 305.09100
PSA 79.95000
LogP 3.32520
Index of Refraction 1.673
InChIKey CTYCSOSPTSAGHP-UHFFFAOYSA-N
SMILES OC(c1cccs1)(c1cccs1)C1CN2CCC1CC2

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VD4833000
CHEMICAL NAME :
3-Quinuclidinemethanol, alpha,alpha-di-2-thienyl-
CAS REGISTRY NUMBER :
57734-75-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H19-N-O-S2
MOLECULAR WEIGHT :
305.48
WISWESSER LINE NOTATION :
T66 A B CNTJ AXQ- BT5SJ&- BT5SJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
71 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 10,1482,1976

 Safety Information

HS Code 2934999090

 Synthetic Route

~%

1-Azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol Structure

1-Azabicyclo[2....

CAS#:57734-75-5

Literature: Kaminka,M.E. et al. Pharmaceutical Chemistry Journal, 1977 , vol. 11, # 2 p. 169 - 172 Khimiko-Farmatsevticheskii Zhurnal, 1977 , vol. 11, # 2 p. 24 - 28

~%

1-Azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol Structure

1-Azabicyclo[2....

CAS#:57734-75-5

Literature: Mikhlina,E.E. et al. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1976 , vol. 12, p. 776 - 780 Khimiya Geterotsiklicheskikh Soedinenii, 1976 , vol. 12, p. 935 - 939

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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 Synonyms

1-azabicyclo[2.2.2]octan-3-yl(dithiophen-2-yl)methanol
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