Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Apalcillin [INN]
RN: 63469-19-2
UNII: 3373RT9U7A
InChIKey: XMQVYNAURODYCQ-SLFBBCNNSA-N

Classification Codes

  • Antibiotics
  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H23-N5-O6-S

Molecular Weight

  • 521.5517
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Apalcillin
  • Apalcillin [INN]

Synonyms

  • (2S,5R,6R)-6-((R)-2-(4-Hydroxy-1,5-naphthyridin-3-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-5-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • (2S,5R,6R)-6-((R)-2-(4-Hydroxy-1,5-naphthyridin-3-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-5-thia-1-azabicyclo(3.2.0)heptan-2-carboxylic acid
  • (6R)-6-((R)-2-(4-Hydroxy-1,5-naphthyridin-3-carboxamido)-2-phenylacetamido)penicillansaeure
  • Apalcilina
  • Apalcilina [INN-Spanish]
  • Apalcillin
  • Apalcilline
  • Apalcilline [INN-French]
  • Apalcillinum
  • Apalcillinum [INN-Latin]
  • BRN 6030446
  • UNII-3373RT9U7A

Systematic Names

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-hydroxy-1,5-naphthyridin-3-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-(((4-hydroxy-1,5-naphthyridin-3-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-

Registry Numbers

CAS Registry Number

  • 63469-19-2

FDA UNII

  • 3373RT9U7A

System Generated Number

  • 0063469192

Structure Descriptors

InChI

1S/C25H23N5O6S/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36)/t15-,17-,19+,23-/m1/s1

InChIKey

XMQVYNAURODYCQ-SLFBBCNNSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)NC(=O)c4cnc5cccnc5c4O)C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1300mg/kg (1300mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 107, Pg. 592, 1987.