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Home Other Building Blocks Phentolamine hydrochloride

Phentolamine hydrochloride

CAS No.:
73-05-2
Catalog Number:
AG00FARQ
Molecular Formula:
C17H20ClN3O
Molecular Weight:
317.8132
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Product Description
Catalog Number:
AG00FARQ
Chemical Name:
Phentolamine hydrochloride
CAS Number:
73-05-2
Molecular Formula:
C17H20ClN3O
Molecular Weight:
317.8132
MDL Number:
MFCD09998939
IUPAC Name:
3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;hydrochloride
InChI:
InChI=1S/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H
InChI Key:
TUEJFGFQYKDAPM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1.Cl
EC Number:
200-793-5
UNII:
86DRW83R1H
NSC Number:
757431
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.129g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
317.817g/mol
Monoisotopic Mass:
317.129g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties