Home Other Building Blocks 4-Hydroxymidazolam b-D-Glucuronide

4-Hydroxymidazolam b-D-Glucuronide

CAS No.:
81256-82-8
Catalog Number:
AG00G6CW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G6CW
Chemical Name:
4-Hydroxymidazolam b-D-Glucuronide
CAS Number:
81256-82-8
MDL Number:
MFCD09840747
IUPAC Name:
(2R,3R,4R,5S,6R)-6-[[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C24H21ClFN3O7/c1-10-27-9-16-22(36-24-20(32)18(30)19(31)21(35-24)23(33)34)28-17(12-4-2-3-5-14(12)26)13-8-11(25)6-7-15(13)29(10)16/h2-9,18-22,24,30-32H,1H3,(H,33,34)/t18-,19-,20+,21-,22?,24-/m1/s1
InChI Key:
MPHAZAPYEZYBRV-XELYHNDPSA-N
Properties
Complexity:
855  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
517.105g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
517.894g/mol
Monoisotopic Mass:
517.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties