Ambivalon hydrochloride
Basic information
- CAS
4290-60-2- Standard SMILES
C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21.Cl- InChIKey
ZELYQHCTXSGSGS-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1546421
Overview
See also: Amitriptylinoxide (annotation moved to).
Names & identifiers
- Preferred name
- Ambivalon hydrochloride
- IUPAC
- N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine oxide;hydrochloride
- English name
- Amitriptyline N-oxide hydrochloride
- Molecular formula
- C20H24ClNO
- Molecular weight
- 329.86366
Names & synonyms
Ambivalon hydrochloride4290-60-2Amitriptyline, N-oxide, hydrochlorideAmitriptyline N-Oxide Hydrochloride3UBD0MM0IBAmitriptylinoxide hydrochlorideNSC-176555N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine oxide;hydrochlorideNSC176555NSC 176555UNII-3UBD0MM0IBAmitriptyline, hydrochloride
Show more names
Aids127707Aids-127707Nortriptyline Hydrochloride Impurity J as HydrochlorideNortriptyline Hydrochloride EP Impurity J as Hydrochloride(3-(10,11-Dihydro-5H-dibenzo[A,D]cyclohepten-5-ylidene)propyl)(hydroxy)dimethyl-.lambda.~5~-azane3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine N-oxide hydrochloride
CHEMBL1994889SCHEMBL28221932DTXSID00962775(3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)propyl)(hydroxy)dimethyl-lambda(5)-azane1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-, N-oxide, hydrochloride1-PROPANAMINE, 3-(10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-N,N-DIMETHYL-, N-OXIDE, HYDROCHLORIDE (1:1)3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine N-oxide--hydrogen chloride (1/1)5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine,10,11-dihydro-N,N-dimethyl-, N-oxide, hydrochloride
Database identifiers
- CAS
4290-60-2- PubChem CID
- 6450840
- DTXSID
DTXSID00962775- ChEMBL
CHEMBL1994889- UNII
- 3UBD0MM0IB
- EC Number
- 641-632-2
Properties
Computed structural properties
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 172 · 172-173.6℃
- FDA UNII
- 3 UBD0MM0IB · 3UBD0MM0IB
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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