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Substance Name: Tandospirone citrate [USAN]
RN: 112457-95-1
UNII: 0R8E9BWM4J
InChIKey: DMLGUJHNIWGCKM-DPFKZJTMSA-N

Molecular Formula

  • C21-H29-N5-O2.C6-H8-O7

Molecular Weight

  • 575.6153
 

Classification Codes

  • Anti-Anxiety Agent
  • Anti-Anxiety Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Psychotropic Drugs
  • Reproductive Effect
  • Serotonin Agents
  • Serotonin Agonists
  • Serotonin Receptor Agonists
  • Tranquilizing Agents
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Names and Synonyms

Name of Substance

  • Tandospirone
  • Tandospirone citrate
  • Tandospirone citrate [USAN]

Synonyms

  • (1R*,2S*,3R*,4S*)-N-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-2,3-norbornanedicarboximide citrate (1:1)
  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, (3aalpha,4beta,7beta,7aalpha)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • SM 3997
  • SM-3997
  • Tandospirone citrate
  • UNII-0R8E9BWM4J

Systematic Name

  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, (3aalpha,4beta,7beta,7aalpha)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 112457-95-1

FDA UNII

  • 0R8E9BWM4J

System Generated Number

  • 0112457951

Molecular Formulas

Molecular Formula

  • C21-H29-N5-O2.C6-H8-O7

Molecular Formula Fragments

  • C21-H29-N5-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29N5O2.C6H8O7/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,6-7,15-18H,1-2,4-5,8-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15-,16+,17+,18-;

InChIKey

DMLGUJHNIWGCKM-DPFKZJTMSA-N

Smiles

c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 1gm/kg (1000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.
dog LD50 oral 3gm/kg (3000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.
monkey LD50 oral 1gm/kg (1000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 210, 1997.
mouse LD50 intravenous 132mg/kg (132mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.
mouse LD50 oral 720mg/kg (720mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.
mouse LD50 subcutaneous 425mg/kg (425mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.
rat LD50 intravenous 100mg/kg (100mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.
rat LD50 oral 590mg/kg (590mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.
rat LD50 subcutaneous 450mg/kg (450mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.