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About This Item
Linear Formula:
C10H7CH(CH3)OH
CAS Number:
Molecular Weight:
172.22
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2045009
Assay:
99%
Form:
solid
Quality Level
assay
99%
form
solid
optical activity
[α]20/D −77°, c = 1 in methanol
mp
47-49 °C (lit.)
SMILES string
C[C@H](O)c1cccc2ccccc12
InChI
1S/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3/t9-/m0/s1
InChI key
CDRQOYRPWJULJN-VIFPVBQESA-N
Gene Information
human ... UGT2B17(7367), UGT2B7(7364)
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Ingo Bichlmaier et al.
Journal of medicinal chemistry, 49(5), 1818-1827 (2006-03-03)
A set of 28 enantiomers comprising rigid and flexible secondary alcohols was synthesized by the asymmetric Corey-Bakshi-Shibata reduction. The enantiomerically pure alcohols were subjected to enzymatic glucuronidation assays employing the human UDP-glucuronosyltransferases (UGTs) 2B7 and 2B17. Both UGTs displayed high