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Argatroban Impurity 75 HCl

CAT: 1596-AR-A07034-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A07034-01Size:10 Units
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CAS Number
51298-62-5
Molecular Formula
C7H15N5O4. HCl
Molecular Weight
233.23 36.46
API Name
Argatroban

Chemical Information

L-NAME hydrochloride

N(gamma)-nitro-L-arginine methyl ester hydrochloride is a hydrochloride obtained by combining Ngamma-nitro-L-arginine methyl ester with one equivalent of hydrochloric acid. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It contains a N(gamma)-nitro-L-arginine methyl ester(1+).

CAS Number51298-62-5
PubChem CID135193
IUPAC Namemethyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate;hydrochloride
Molecular FormulaC7H16ClN5O4
Molecular Weight269.69
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity274
SMILES
COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N.Cl
InChI
InChI=1S/C7H15N5O4.ClH/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15;/h5H,2-4,8H2,1H3,(H3,9,10,11);1H/t5-;/m0./s1
InChIKey
QBNXAGZYLSRPJK-JEDNCBNOSA-N
Chemical Structure
2D Structure
2D structure of L-NAME hydrochloride
CAS: 51298-62-5
CID: 135193
Formula: C7H16ClN5O4
MW: 269.69
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.69
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass269.0890817
Monoisotopic Mass269.0890817
Topological Polar Surface Area149 Ų
Heavy Atom Count17
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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RM-A070282-01Argatroban Impurity 56
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RM-A070210-01Argatroban Impurity J
RM-A070209-01Argatroban Impurity I
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