Completing data — usually done within a minute
Basic information
- CAS
1968-05-4- Standard SMILES
c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1- InChIKey
VFTRKSBEFQDZKX-UHFFFAOYSA-N- Molecular formula
- C17H14N2
- Average molar mass
- 246.313 g/mol
- Monoisotopic mass
- 246.11569845
Names & identifiers
- Preferred name
- 3,3,-Diindolylmethane
- IUPAC
- 3,3'-Methylenedi(1H-indole)
- English name
- 3,3'-Diindolylmethane
- Molecular formula
- C17H14N2
- Molecular weight
- 246.31
Names & synonyms
68-05-4DI INDOLYL METHANE(DIM) DiindolylmethaneHB 236ARUNDINEPlant IndoleIndole dimerDiindole methaneDi(1H-indol-3-yl)-Diindolylmethane
Database identifiers
- CAS
1968-05-4- PubChem CID
- 3071
- DTXSID
DTXSID8037047- ChEMBL
CHEMBL446452- ChEBI
CHEBI:50182- UNII
- SSZ9HQT61Z
- EC Number
- 606-355-3
- Nikkaji
- J468.770A
Properties
Physicochemical properties
- Melting point
- 167 °C · 167 °C
- Boiling point
- 230 °C · 230 °C(Press: 0.01 Torr)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 16.91 · 16.91±0.30(Predicted)
- form
- Off-white powder.
- color
- White to Pale Beige
- Major Application
- food and beverages
- InChI
- InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
- InChIKey
- VFTRKSBEFQDZKX-UHFFFAOYSA-N
- SMILES
- C(C1C2=C(NC=1)C=CC=C2)C1C2=C(NC=1)C=CC=C2
- LogP
- 4.401 · 4.401 (est)
- CAS DataBase Reference
- 1968 · 1968-05-4(CAS DataBase Reference)
- FDA UNII
- 9 HQT61Z · SSZ9HQT61Z
- NCI Dictionary of Cancer Terms
- diindolylmethane; DIM
- NCI Drug Dictionary
- diindolylmethane
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 273 · P273-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- NM0332000
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H413
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P273-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesapoptosis inducer
UsesAn antineoplastic agent that activates Chk 2 and cytochrome p450
Uses3,3′-Diindolylmethane may be used as a model substrate to analyze the role of 3,3′-diindolylmethane in inducing apoptosis in human cancer cells.
General Description3,3′-Diindolylmethane, a dimer of indole-3-carbinol, is a component of cruciferous vegetables. It is known to exhibit anticancer effects.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海予君生物科技发展有限公司13564545227 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]
Related reactions
5 records
Compound notes
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