Sodium dicloxacillin monohydrate

CAS Registry Number®

13412-64-1

CAS Name

Sodium dicloxacillin monohydrate

Molecular Formula

C19H17Cl2N3O5S.H2O.Na

Cite this Page

Sodium dicloxacillin monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13412-64-1 (retrieved 2024-11-22) (CAS RN: 13412-64-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/t13-,14+,17-;;/m1../s1

InChIKey

InChIKey=QBFCIKYALGTFHK-VICXVTCVSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C=3C(=NOC3C)C4=C(Cl)C=CC=C4Cl)C2=O)(SC1(C)C)[H].[Na].O

Canonical SMILES

[Na].O=C(O)C1N2C(=O)C(NC(=O)C=3C(=NOC3C)C=4C(Cl)=CC=CC4Cl)C2SC1(C)C.O

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, sodium salt, hydrate (1:1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate, (2S,5R,6R)-
  • P 1011

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration