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CGamF

CAT: 0013-GTR19342975-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19342975-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CGamF is a fluorescent bile acid probe (ex/em 492/515 nm) used to study hepatic transporter function. Its pH-dependent fluorescence and sodium-dependent cellular uptake make it suitable for in vitro assays investigating drug interactions and hepatotoxicity mediated by bile acid transporters.
CAS Number
168912-70-7
Field of Research
Metabolism Research
Molecular Weight
794.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 172652667
CAS Number168912-70-7
PubChem CID172652667
IUPAC Name(4R)-N-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]-2-oxoethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
Molecular FormulaC46H54N2O10
Molecular Weight794.9
XLogP5.7
Topological Polar Surface Area195
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count58
Formal Charge0
Complexity1550
SMILES
C[C@H](CCC(=O)NCC(=O)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)[C@H]6CC[C@@H]7[C@@]6([C@H](C[C@H]8[C@H]7[C@@H](C[C@H]9[C@@]8(CC[C@H](C9)O)C)O)O)C
InChI
InChI=1S/C46H54N2O10/c1-23(30-11-12-34-42-35(21-39(53)45(30,34)3)44(2)15-14-28(51)16-24(44)17-36(42)52)4-13-40(54)47-22-41(55)48-25-5-8-31-29(18-25)43(56)58-46(31)32-9-6-26(49)19-37(32)57-38-20-27(50)7-10-33(38)46/h5-10,18-20,23-24,28,30,34-36,39,42,49-53H,4,11-17,21-22H2,1-3H3,(H,47,54)(H,48,55)/t23-,24+,28-,30-,34+,35+,36-,39+,42+,44+,45-/m1/s1
InChIKey
ODNHQBGUSBRMLL-NGLFZQPYSA-N
Chemical Structure
2D Structure
2D structure of CID 172652667
CAS: 168912-70-7
CID: 172652667
Formula: C46H54N2O10
MW: 794.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight794.9
XLogP35.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass794.37784592
Monoisotopic Mass794.37784592
Topological Polar Surface Area195 Ų
Heavy Atom Count58
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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