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Substance Name: Papaverine adenylate
RN: 39024-96-9
UNII: A4SH55A4Y9
InChIKey: BAJNONMTXYJRMJ-LPEHXXKESA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C20-H21-N-O4.C10-H14-N5-O7-P

Molecular Weight

  • 686.6115
 
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Names and Synonyms

Name of Substance

  • Papaverine adenylate

Synonyms

  • Dicertan
  • EINECS 254-252-3
  • Monophosadenine de papaverine
  • Monophosadenine de papaverine [French]
  • Papaverine adenosine 5-monophosphate
  • Papaverine adenosine phosphate
  • Papaverine adenylate
  • Papaverine monophosadenine
  • UNII-A4SH55A4Y9

Systematic Names

  • 5'-Adenylic acid, compd. with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1)
  • Adenosine 5'-monophosphate, compound with 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (1:1)

Registry Numbers

CAS Registry Number

  • 39024-96-9

FDA UNII

  • A4SH55A4Y9

System Generated Number

  • 0039024969

Molecular Formulas

Molecular Formula

  • C20-H21-N-O4.C10-H14-N5-O7-P

Molecular Formula Fragments

  • C10-H14-N5-O7-P
  • C20-H21-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21NO4.C10H14N5O7P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h5-8,10-12H,9H2,1-4H3;2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t;4-,6-,7-,10-/m.1/s1

InChIKey

BAJNONMTXYJRMJ-LPEHXXKESA-N

Smiles

COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Nc4ncnc5c4ncn5[C@@H]6O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]6O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2450mg/kg (2450mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ANTIPSYCHOTIC
Therapie. Vol. 30, Pg. 863, 1975.
rat LD50 oral 3910mg/kg (3910mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ANTIPSYCHOTIC
Therapie. Vol. 30, Pg. 863, 1975.
women TDLo oral 17520mg/kg/6Y (17520mg/kg) LIVER: "HEPATITIS, FIBROUS (CIRRHOSIS, POST-NECROTIC SCARRING)"

LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"
Gastroenterology. Vol. 90, Pg. 1051, 1986.