Mebrofenin

CAT: 1596-AR-M03536-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03536-02Size:25 Units

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CAS Number

78266-06-5

Synonyms

Mebrofenin

Molecular Formula

C15H19BrN2O5

Molecular Weight

387.23

API Name

Mebrofenin

Chemical Information

Mebrofenin

Mebrofenin is an amino acid amide.

CAS Number	78266-06-5
PubChem CID	54158
IUPAC Name	2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
Molecular Formula	C15H19BrN2O5
Molecular Weight	387.23
XLogP	-0.1
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	443

SMILES

CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C

InChI

InChI=1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)

InChIKey

MHPZZZZLAQGTHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78266-06-5

CID: 54158

Formula: C15H19BrN2O5

MW: 387.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	387.23
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	386.04773
Monoisotopic Mass	386.04773
Topological Polar Surface Area	107 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	443
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes