Basic information
- CAS
145158-71-0- Standard SMILES
CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12- InChIKey
IKBKZGMPCYNSLU-UHFFFAOYSA-N- Molecular formula
- C16H23N5O
- Average molar mass
- 301.39 g/mol
- Monoisotopic mass
- 301.19026037
Overview
See also: Tegaserod (annotation moved to); Tegaserod Maleate (annotation moved to).
Names & identifiers
- Preferred name
- 1-[(5-Methoxy-3-indolylidene)methylamino]-2-pentylguanidine
- IUPAC
- 1-[(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
- English name
- Tegaserod
- Molecular formula
- C16H23N5O
- Molecular weight
- 301.39
Names & synonyms
1-[(5-methoxy-3-indolylidene)methylamino]-2-pentylguanidineSDZ HTF 919Spectrum_001950Spectrum2_001100Spectrum3_001855Spectrum4_000730KBioGR_001000KBioSS_002504Tegaserod [USAN:INN:BAN]SCHEMBL774764SPBio_001180orb1689347
Show more names
TEGASERODTegaserodeTegaserod USP/EP/BP1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine2-[(5-methoxy-1h-indol-3-yl)methylene]-n-pentylhydrazine-carboximidamideHydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-(E)-2-((5-methoxy-1H-indol-3-yl)methylene)-N-pentylhydrazine-1-carboximidamideTegaserod D10Q: What is Tegaserod D10 Q: What is the CAS Number of Tegaserod D10Tegaserod 13CD3Q: What is Tegaserod 13CD3 Q: What is the CAS Number of Tegaserod 13CD3Tegaserod D11 (Major-D10)Q: What is Tegaserod D11 (Major-D10) Q: What is the CAS Number of Tegaserod D11 (Major-D10)
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 155 ° · 155°
- Boiling point
- 470.6 · 470.6±48.0 °C(Predicted)
- Density
- 1.18 · 1.18
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 15.81 · 15.81±0.30(Predicted)
- color
- White to off-white
- CAS DataBase Reference
- 145158 · 145158-71-0(CAS DataBase Reference)
- FDA UNII
- 458 VC51857 · 458VC51857
- ATC code
- 6 AX06 · A06AX06
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 36 · 36/37-36-26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi
- safety_code
- 36/37-36-26
Chemistry & industry
Applications
UsesTreatment of gastrointestinal motility disorders (selective serotonin 5HT4antagonist).
Suppliers36 total
北京华美互利生物化工010-56205725 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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