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Substance Name: L-Prolinamide, N,N-dimethyl-L-phenylalanyl-N-(5,8-dioxo-3-phenyl-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-10,12,14,15-tetraen-4-yl)-, (3R-(3R*,4S*,7S*))-, sulfamate
RN: 19542-40-6
InChIKey: WDFAVPGSJNVWJW-RLLMKXODSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H45-N5-O5.H3-N-O3-S

Molecular Weight

  • 699.8475
 
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Names and Synonyms

Synonyms

  • Adouetine Z amidosulfonate
  • Adouetine Z amidosulfonate [French]

Systematic Name

  • L-Prolinamide, N,N-dimethyl-L-phenylalanyl-N-(5,8-dioxo-3-phenyl-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-10,12,14,15-tetraen-4-yl)-, (3R-(3R*,4S*,7S*))-, sulfamate

Registry Numbers

CAS Registry Number

  • 19542-40-6

System Generated Number

  • 0019542406

Molecular Formulas

Molecular Formula

  • C42-H45-N5-O5.H3-N-O3-S

Molecular Formula Fragments

  • C42-H45-N5-O5
  • COMPONENT
  • H3-N-O3-S

Structure Descriptors

InChI

1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)41(50)45-40(49)35-19-12-26-47(35)37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-42(37)51)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,51)(H,45,49,50)/b25-24-/t34-,35-,36-,37-,38+/m0/s1

InChIKey

WDFAVPGSJNVWJW-RLLMKXODSA-N

Smiles

CN(C)[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]2CCCN2[C@H]3[C@H](Oc4ccc(cc4)/C=C\NC(=O)[C@@H](NC3=O)Cc5ccccc5)c6ccccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 53mg/kg (53mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Annales Pharmaceutiques Francaises. Vol. 21, Pg. 147, 1963.