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Substance Name: Isoaminile [INN:BAN:DCF]
RN: 77-51-0
UNII: R4823W2PQL
InChIKey: WFLSCFISQHLEED-UHFFFAOYSA-N

Classification Codes

  • Antitussive Agents
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Respiratory System Agents

Molecular Formula

  • C16-H24-N2

Molecular Weight

  • 244.38
 
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Names and Synonyms

Name of Substance

  • Isoaminile
  • Isoaminile [INN:BAN:DCF]

Synonyms

  • 4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile
  • Aprecon
  • Benzeneacetonitrile, alpha-(2-(dimethylamino)propyl)-alpha-(1-methylethyl)-
  • BRN 2849321
  • EINECS 201-033-5
  • Isoaminil
  • Isoaminile
  • Isoaminilo
  • Isoaminilo [INN-Spanish]
  • Isoaminilum
  • Isoaminilum [INN-Latin]
  • Nullatuss
  • TAT-1
  • UNII-R4823W2PQL

Systematic Names

  • 4-Dimethylamino-2-isopropyl-2-phenylvaleronitrile
  • Isoaminile
  • Valeronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-

Registry Numbers

CAS Registry Number

  • 77-51-0

FDA UNII

  • R4823W2PQL

Related Registry Number

  • 28416-66-2 (citrate)

System Generated Number

  • 0000077510

Structure Descriptors

InChI

1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3

InChIKey

WFLSCFISQHLEED-UHFFFAOYSA-N

Smiles

c1([C@@](C[C@@H](N(C)C)C)(C(C)C)C#N)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 48400ug/kg (48.4mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE		 Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 323, 1968.
mouse LD50 intraperitoneal 77mg/kg (77mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 323, 1968.
mouse LD50 intravenous 55mg/kg (55mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 323, 1968.
mouse LD50 subcutaneous 127mg/kg (127mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 323, 1968.
mouse LDLo oral 378mg/kg (378mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 323, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.460 (none)   EST
Atmospheric OH Rate Constant 9.93E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.