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Home> Encyclopedia > Hot Product Listed M   > Methanone,(1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-,hydrochloride (1:1...
132907-72-3 structure

Methanone,(1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-,hydrochloride (1:1)

Iupac Name:(1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone;hydrochloride
CAS No.:132907-72-3
Molecular Weight:315.801
Molecular Formula:C17H18ClN3O (isomer)
Names and Identifiers
Synonyms

(-)-(r)-5-[(1-methyl-1h-indol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1h- benzimidazole monohydrochloride (-)-(r)-5-[(1-methyl-1h-indol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1h-benzimidazole monohydrochloride (-)-(R)-5-[(1-Methyl-1H-indol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-benzimidazolemonohydrochloride (-)-5-(R)-[(1-methylindole-3-yl)carbonyl]-4,5,6,7-tetrahydrobenzimidazole hydrochloride (1-methyl-1h-indol-3-yl)(4,5,6,7-tetrahydro-1h-benzimidazol-5-yl)-methanon (1-methyl-1h-indol-3-yl)[(5r)-4,5,6,7-tetrahydro-1h-benzimidazol-5-yl]methanone hydrochloride (1-methyl-1h-indol-3-yl)[(6r)-4,5,6,7-tetrahydro-1h-benzimidazol-6-yl]methanone hydrochloride (1-methylindol-3-yl)-[(5r)-4,5,6,7-tetrahydro-3h-benzimidazol-5-yl]methanone hydrochloride (5r)-5-(1-methylindole-3-carbonyl)-4,5,6,7-tetrahydro-1h-1,3-benzodiazole hydrochloride (6r)-6-(1-methyl-1h-indole-3-carbonyl)-4,5,6,7-tetrahydro-1h-1,3-benzodiazole hydrochloride (r)-(-)-5-[(1-methylindol-3-yl)carbonyl]-4,5,6,7-tetrahydrobenzimidazole hydrochloride (r)-(-)-ramosetron hydrochloride (r)-(1-methyl-1h-indol-3-yl)(4,5,6,7-tetrahydro-1h-benzo[d]imidazol-6-yl)methanone hydrochloride (r)-5-((1-methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1h-benzimidazole hydrochloride (r)-5-((1-methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1h-benzimidazolehydr (r)-5-[(1-methyl-3-indolyl) carbonyl]-4,5,6,7-tetrahydro-1h-benzimidazol hydrochloride (R)-5-[(1-Methyl-3-indolyl)carbonyl]-4,5,6,7-tetrahydro-1H-benzimidazole hydrochloride (r)-monohydrochlorid 5-((1-methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1h-benzimidazol 907r723 9551LHD87E AB0068748 AC1L3352 ACT02590 AK-57964 AKOS015895434 AKOS025149483 AN-853 ANW-47965 api0012927 BC208943 BG01606098 BR-57964 c17h17n3o.hcl c-19457 cas-132907-72-3 ccris 7704 CHEBI:32088 CHEMBL3181841 CS-2813 CTK8B5207 D02016 dsstox_cid_1223 dsstox_gsid_21223 dsstox_rid_76021 DTXSID3021223 FT-0631146 HY-B0595 irribow irribow (tn) KS-00000LAV KS-1311 KSC915E0P LS-91305 methanone, (1-methyl-1h-indol-3-yl)((5r)-4,5,6,7-tetrahydro-1h-benzimidazol-5-yl)-, monohydrochloride methanone, (1-methyl-1h-indol-3-yl)(4,5,6,7-tetrahydro-1h-benzimidazol-5-yl)-, monohydrochloride, (r)- methanone, (1-methyl-1h-indol-3-yl)(4,5,6,7-tetrahydro-1h-benzimidazol-5-yl)-,monohydrochloride, (r)- Methanone,(1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)-,monohydrochloride, (R)- Methanone,(1-methyl-1H-indol-3-yl)[(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]-,monohydrochloride (9CI) Methanone,(1-Methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benziMidazol-6-yl]-,hydrochloride (1:1) mfcd19441800 MOLPORT-003-986-378 MOLPORT-020-313-421 nasea nasea (tn) nasea od NCGC00167437-01 NCGC00167437-02 ramosetron (hydrochloride) ramosetron hcl Ramosetron Hydrochlorid ramosetron hydrochloride ramosetron hydrochloride 98.5% min ramosetron hydrochloride (jan) ramosetron.hcl Ramosetronhydrochloride RT-000729 S-7461 SBB066138 SCHEMBL447023 SCHEMBL8544326 ST2414405 TL8000781 tox21_112441 tox21_112441_1 unii-9551lhd87e XIXYTCLDXQRHJO-RFVHGSKJSA-N ym 060 ym060 ym-060

Inchi
InChI=1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1
InChkey
XIXYTCLDXQRHJO-RFVHGSKJSA-N
Canonical Smiles
CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl
Isomers Smiles
CN1C=C(C2=CC=CC=C21)C(=O)[C@@H]3CCC4=C(C3)NC=N4.Cl
Properties
Appearance
white to beige
Melting Point
244-246°C
Boiling Point
579.7°Cat760mmHg
Vapour
1.96E-13mmHg at 25°C
Flash Point
304.4°C
Alpha
D -42.9° (c 1.02 in methanol)
Solubility
H2O: soluble20mg/mL, clear
HS Code
2933990090
Storage temp
Hygroscopic, Refrigerator, Under Inert Atmosphere
Safety and Handling
Hazard Codes
Xn
Risk Statements
22
Hazard Note
H302
Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD intravenous > 30mg/kg (30mg/kg) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE Oyo Yakuri. Pharmacometrics. Vol. 47, Pg. 117, 1994.
dog LD oral > 60mg/kg (60mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING
Arzneimittel-Forschung. Drug Research. Vol. 45, Pg. 760, 1995.
mouse LD50 intravenous 90mg/kg (90mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 27, Pg. 652, 1996.
rat LD50 intravenous 151mg/kg (151mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

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

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 47, Pg. 105, 1994.
rat LD50 oral 1264mg/kg (1264mg/kg) ? Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 41, Pg. 1048, 1999.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:315.801g/mol
  • Molecular Formula:C17H18ClN3O
  • Compound Is Canonicalized:True
  • Exact Mass:315.114
  • Monoisotopic Mass:315.114
  • Complexity:413
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:50.7A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7IAAEAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/AAAHgAQAAAADQzBngQ/0PfNkACo A7R3ZACCgC21EqAJ2aE4dNiIaPrAnZGUIYhokALIyeccicCegAAAAAACAAAQAACAAAQAQAAAAAAA AA==
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