CAS
41744-75-6 Purity
96%
41744-75-6 Purity
96%
![2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol iodide hydroiodide](https://resource.alfa-chemistry.com/structure/4175-03-5.gif)
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Bentiromide
CAS
41748-47-4
Catalog Number
ACM41748474
Category
Other Products
Molecular Weight
426.4
Molecular Formula
C23H19N2NaO5
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Specification
Synonyms
bentiromide, 13135_FLUKA, 13135_SIGMA, MolPort-003-926-261, EINECS 255-530-7, N-Benzoyl-L-tyrosine p-amidobenzoic acid sodium salt, N-Benzoyl-L-tyrosyl-4-aminobenzoic acid sodium salt, Sodium (S)-4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoate, 41748-47-4
IUPAC Name
sodium 4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoate
Canonical SMILES
C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)[O-].[Na+]
InChI Key
HEJYVLSWQWPKPQ-BDQAORGHSA-M
Boiling Point
797.1ºC at 760 mmHg
Melting Point
-210ºC (dec.)
Flash Point
435.9ºC
Appearance
powder
EC Number
253-349-8
Exact Mass
426.11900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
3
Safety Description
26-36
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