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213978-34-8

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Basic Information
CAS No.: 213978-34-8
Name: Cefdinir monohydrate
Molecular Structure:
Molecular Structure of 213978-34-8 (Cefdinir monohydrate)
Formula: C14H15N5O6S2
Molecular Weight: 413.43
Synonyms: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate;
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Specification

The CAS registry number of Cefdinir monohydrate is 213978-34-8. This chemical's molecular formula is C14H15N5O6S2 and molecular weight is 413.4288. What's more, its systematic name is called (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1).

Physical properties about Cefdinir monohydrate are: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 158.18 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N1/C(=C(/C=C)CS[C@@H]1[C@@H]2NC(=O)C(=N\O)/c3nc(sc3)N)C(=O)O.O
(2) InChI: InChI=1/C14H13N5O5S2.H2O/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6;/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23);1H2/b18-7-;/t8-,12-;/m1./s1
(3) InChIKey: QWUVJQSNISEEQI-KYIYMPJCBJ