Basic information
- CAS
15923-42-9- Standard SMILES
C[NH+]1C2=C(CCNCC2)c2ccccc21.[Cl-]- InChIKey
SAIGGEUWSYESTR-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2
- Average molar mass
- 236.74 g/mol
- Monoisotopic mass
- 236.1080262
Overview
See also: Pnu-22394 hydrochloride (preferred).
Names & identifiers
- Preferred name
- 6-Methyl-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole hydrochloride
- IUPAC
- 6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-6-ium chloride
- English name
- PNU 22394 hydrochloride
- Molecular formula
- C13H17ClN2
- Molecular weight
- 236.74
Names & synonyms
6-Methyl-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole hydrochloride6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-6-ium;chloride6-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochlorideU-22394AUNII-NK9N5GRJ531,2,3,4,5,6-Hexahydro-6-methylazepino(4,5-b)indole hydrochlorideAZEPINO(4,5-b)INDOLE, 1,2,3,4,5,6-HEXAHYDRO-6-METHYL-, HYDROCHLORIDE
Database identifiers
- CAS
15923-42-9- PubChem CID
- 27558
Properties
Computed structural properties
- Topological polar surface area
- 16.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- form
- Powder
- color
- White to off-white
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- FDA UNII
- 9 N5GRJ53 · NK9N5GRJ53
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesPNU-22394 hydrochloride is an agonist for 5-HT, with Ki of 6.1 and 10 nM, for 5-HT2C and 5-HT2A, respectively[1].
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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