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Substance Name: Proglumetacin maleate [JAN]
RN: 59209-40-4
UNII: F2PUN24B8C
InChIKey: MKFWBVKQDGNXDW-SPIKMXEPSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C46-H58-Cl-N5-O8.2C4-H4-O4

Molecular Weight

  • 1076.5874
 
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Names and Synonyms

Name of Substance

  • Proglumetacin dimaleate
  • Proglumetacin maleate [JAN]
  • Protacine

Synonyms

  • Afloxan
  • CR-604
  • EINECS 261-656-3
  • Proglumetacin maleate
  • Proglumetacina
  • Proglumetacina [Spanish]
  • Protacine
  • Proxil
  • UNII-F2PUN24B8C

Systematic Names

  • (1)-2-(4-(3-((4-Benzamido-5-(dipropylamino)glutaryl)oxy)propyl)-1-piperazinyl)ethyl 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate, compound with maleic acid (1:2)
  • 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2-(4-(3-((4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl)oxy)propyl)-1-piperazinyl)ethyl ester (+-)-, (Z)-2-butenedioate (1:2)
  • 3'-(4-(2-(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-ylacetoxy)ethyl)piperazin-1-yl)propyl-4-benzamido-N,N-dipropylglutaramate (+-) dimaleate

Registry Numbers

CAS Registry Number

  • 59209-40-4

FDA UNII

  • F2PUN24B8C

Other Registry Numbers

  • 57132-54-4
  • 68246-97-9

System Generated Number

  • 0059209404

Molecular Formulas

Molecular Formula

  • C46-H58-Cl-N5-O8.2C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C46-H58-Cl-N5-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C46H58ClN5O8.2C4H4O4/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35;2*5-3(6)1-2-4(7)8/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

MKFWBVKQDGNXDW-SPIKMXEPSA-N

Smiles

CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)OCCCN2CCN(CC2)CCOC(=O)Cc3c4c(n(c3C)C(=O)c5ccc(cc5)Cl)ccc(c4)OC)CCC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 824mg/kg (824mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Oyo Yakuri. Pharmacometrics. Vol. 32, Pg. 403, 1986.
mouse LD50 intraperitoneal 243mg/kg (243mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 32, Pg. 1173, 1986.
mouse LD50 oral 67mg/kg (67mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Oyo Yakuri. Pharmacometrics. Vol. 32, Pg. 1173, 1986.
mouse LD50 subcutaneous 195mg/kg (195mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 32, Pg. 1173, 1986.
mouse LD50 subcutaneous 195mg/kg (195mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 32, Pg. 1173, 1986.
rat LD50 intraperitoneal 247mg/kg (247mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Oyo Yakuri. Pharmacometrics. Vol. 32, Pg. 1173, 1986.
rat LD50 oral 170mg/kg (170mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Oyo Yakuri. Pharmacometrics. Vol. 32, Pg. 1173, 1986.
rat LD50 rectal > 4750mg/kg (4750mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 228, 1989.
rat LD50 skin > 5gm/kg (5000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 228, 1989.
rat LD50 subcutaneous 332mg/kg (332mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Oyo Yakuri. Pharmacometrics. Vol. 32, Pg. 1173, 1986.