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Substance Name: CD 3400
RN: 35440-49-4
InChIKey: MMUMZMIKZXSFSD-ADSVITMPSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C33-H38-N2-O8

Molecular Weight

  • 590.669
 
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Names and Synonyms

Name of Substance

  • CD 3400

Synonyms

  • CD-3400
  • Methyl O-(4-hydroxy-3-methoxycinnamoyl)reserpate

Systematic Name

  • Yohimban-16-carboxylic acid, 18-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-11,17-dimethoxy-, methyl ester, (3-beta,16-beta,17-alpha,18-beta,20-alpha)-

Registry Numbers

CAS Registry Number

  • 35440-49-4

System Generated Number

  • 0035440494

Structure Descriptors

InChI

1S/C33H38N2O8/c1-39-20-7-8-21-22-11-12-35-17-19-14-28(43-29(37)10-6-18-5-9-26(36)27(13-18)40-2)32(41-3)30(33(38)42-4)23(19)16-25(35)31(22)34-24(21)15-20/h5-10,13,15,19,23,25,28,30,32,34,36H,11-12,14,16-17H2,1-4H3/b10-6+/t19-,23+,25-,28-,30+,32+/m1/s1

InChIKey

MMUMZMIKZXSFSD-ADSVITMPSA-N

Smiles

[nH]1c2[C@@H]3[N@@](CCc2c2ccc(cc12)OC)C[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1C3)C(=O)OC)OC)OC(\C=C\c1cc(c(cc1)O)OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 189mg/kg (189mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: FOOD INTAKE (ANIMAL)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 1669, 1977.
mouse LD50 oral > 15gm/kg (15000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 1669, 1977.
mouse LD50 subcutaneous > 15gm/kg (15000mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BLOOD: CHANGES IN SPLEEN
Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 1669, 1977.
rat LD50 intraperitoneal 210mg/kg (210mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: FOOD INTAKE (ANIMAL)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 1669, 1977.
rat LD50 oral > 15gm/kg (15000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 1669, 1977.
rat LD50 subcutaneous > 15gm/kg (15000mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BLOOD: CHANGES IN SPLEEN
Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 1669, 1977.