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ACTIVE PHARMA INGREDIENTS

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1 JDMF

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 143892-90-4, Arginine mixture with cefepime, Cefepime mixture with arginine, Bmy-28142 l-arginine dihydrochloride, L-arginine, mixt. with (6r-(6-alpha,7-beta(z)))-1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methylpyrrolidinium hydroxide, inner salt, dihydrochloride

Molecular Formula

C₂₅H₃₈N₁₀O₇S₂

Molecular Weight

654.8 g/mol

InChI Key

YHZGXEWHCMGDST-GWIDHQOMSA-N

1 2D Structure

Cefepime Mixture With Arginine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

2.1.2 InChI

InChI=1S/C19H24N6O5S2.C6H14N4O2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;7-4(5(11)12)2-1-3-10-6(8)9/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/b23-12-;/t13-,17-;4-/m10/s1

2.1.3 InChI Key

YHZGXEWHCMGDST-GWIDHQOMSA-N

2.1.4 Canonical SMILES

C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

2.1.5 Isomeric SMILES

C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-].C(C[C@@H](C(=O)O)N)CN=C(N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 143892-90-4

2. Arginine Mixture With Cefepime

3. Cefepime Mixture With Arginine

4. Bmy-28142 L-arginine Dihydrochloride

5. L-arginine, Mixt. With (6r-(6-alpha,7-beta(z)))-1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methylpyrrolidinium Hydroxide, Inner Salt, Dihydrochloride

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₈N₁₀O₇S₂
Molecular Weight	654.8 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	11
Exact Mass	654.23663594 g/mol
Monoisotopic Mass	654.23663594 g/mol
Topological Polar Surface Area	331 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2