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Substance Name: Raunitidine
RN: 14883-83-1
InChIKey: KXEMQEGRZWUKJS-OVXHWVBHSA-N

Molecular Formula

  • C22-H26-N2-O4

Molecular Weight

  • 382.457
 
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Names and Synonyms

Results Name

  • Raunitidine

Synonyms

  • Methyl 16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate (19beta,20alpha)-
  • NSC 72290
  • Raunitidine

Systematic Names

  • 4H-Indolo(2,3-a)pyrano(3,4-g)quinolizine-16-carboxylic acid, 4a,5,7,8,13,13b,14,14a-octahydro-11-methoxy-4-methyl-, methyl ester
  • Oxayohimban-16-carboxylic acid, 16,17-didehydro-11-methoxy-19-methyl-, methyl ester, (19beta,20alpha)-

Registry Numbers

CAS Registry Number

  • 14883-83-1

System Generated Number

  • 0014883831

Structure Descriptors

InChI

1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16+,17+,20+/m1/s1

InChIKey

KXEMQEGRZWUKJS-OVXHWVBHSA-N

Smiles

c12[nH]c3cc(OC)ccc3c1CC[N@@]1[C@H]2C[C@@H]2C(=CO[C@@H]([C@H]2C1)C)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00923,