Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Nicomol [INN:JAN]
RN: 27959-26-8
UNII: 215U8X2R44
InChIKey: VRAHPESAMYMDQI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C34-H32-N4-O9

Molecular Weight

  • 640.646
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Nicomol
  • Nicomol [INN:JAN]

Synonyms

  • 2,2,6,6-Tetrakis(nicotinoyloxymethyl)cyclohexanol
  • 2-Hydroxycyclohexane-1,1,3,3-tetramethanol tetraester with nicotinic acid
  • 3-Pyridinecarboxylic acid, (2-hydroxy-1,3-cyclohexanediylidene)tetrakis(methylene) ester
  • BRN 0469260
  • Cholexamin
  • Cholexamine
  • EINECS 248-748-9
  • K 31
  • K 31 (pharmaceutical)
  • Nicomol
  • Nicomolum
  • Nicomolum [INN-Latin]
  • Tetranicotinic acid 2-hydroxycyclohexa-1,1,3,3-tetramethyl ester
  • UNII-215U8X2R44

Systematic Names

  • 2-Hydroxy-1,1,3,3-cyclohexanetetramethanol 1,1,3,3-tetranicotinate
  • Nicomol
  • Nicotinic acid, 1,1,3,3-tetraester with 2-hydroxy-1,1,3,3-cyclohexanetetramethanol

Registry Numbers

CAS Registry Number

  • 27959-26-8

FDA UNII

  • 215U8X2R44

System Generated Number

  • 0027959268

Structure Descriptors

InChI

1S/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2

InChIKey

VRAHPESAMYMDQI-UHFFFAOYSA-N

Smiles

C1(C(C(COC(c2cccnc2)=O)(COC(c2cccnc2)=O)CCC1)O)(COC(c1cccnc1)=O)COC(c1cccnc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 14700mg/kg (14700mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 237, 1968.
mouse LD50 oral > 17800mg/kg (17800mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 237, 1968.
mouse LD50 subcutaneous > 3gm/kg (3000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 237, 1968.
rat LD20 intraperitoneal > 2500mg/kg (2500mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14(5), Pg. 741, 1977.
rat LD50 oral 10gm/kg (10000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rat LD50 subcutaneous > 3gm/kg (3000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 237, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 178.5 deg C   EXP
log P (octanol-water) 2.610 (none)   EST
Atmospheric OH Rate Constant 2.25E-11 cm3/molecule-sec 25 EST

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