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Tamsulosin EP Impurity A

CAT: 1299-RM-T131901-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T131901-01Size:10 mg
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CAS Number
918867-88-6
Synonyms
5-[ (2R) -2-[bis[2- (2-Ethoxyphenoxy) ethyl]amino]propyl]-2-methoxy benzene sulfonamide
Molecular Formula
C30H40N2O7S
Molecular Weight
572.71
Target Alternative Name
Tamsulosin
Product Name Synonym
5-[ (2R) -2-[bis[2- (2-Ethoxyphenoxy) ethyl]amino]propyl]-2-methoxy benzene sulfonamide

Chemical Information

N-[2-(2-Ethoxyphenoxy)ethyl]-(R)-Tamsulosin
CAS Number918867-88-6
PubChem CID16035220
IUPAC Name5-[(2R)-2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
Molecular FormulaC30H40N2O7S
Molecular Weight572.7
XLogP5.2
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count40
Formal Charge0
Complexity763
SMILES
CCOC1=CC=CC=C1OCCN(CCOC2=CC=CC=C2OCC)[C@H](C)CC3=CC(=C(C=C3)OC)S(=O)(=O)N
InChI
InChI=1S/C30H40N2O7S/c1-5-36-25-11-7-9-13-27(25)38-19-17-32(18-20-39-28-14-10-8-12-26(28)37-6-2)23(3)21-24-15-16-29(35-4)30(22-24)40(31,33)34/h7-16,22-23H,5-6,17-21H2,1-4H3,(H2,31,33,34)/t23-/m1/s1
InChIKey
OTXBFJHUSODSBC-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(2-Ethoxyphenoxy)ethyl]-(R)-Tamsulosin
CAS: 918867-88-6
CID: 16035220
Formula: C30H40N2O7S
MW: 572.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight572.7
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass572.25562279
Monoisotopic Mass572.25562279
Topological Polar Surface Area118 Ų
Heavy Atom Count40
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes