CAS 1986-47-6 Tranylcypromine hydrochloride (HCID 2723716)

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Basic information

CAS: 1986-47-6
Standard SMILES: Cl.N[C@@H]1C[C@H]1c1ccccc1
InChIKey: ZPEFMSTTZXJOTM-OULXEKPRSA-N
Molecular formula: C9H12ClN
Average molar mass: 169.65 g/mol
Monoisotopic mass: 169.0658271

Names & identifiers

Preferred name: Tranylcypromine hydrochloride
IUPAC: trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride
English name: (1R,2S)-2-Phenyl-cyclopropylamine hydrochloride
Molecular formula: C9H12ClN
Molecular weight: 169.65

Names & synonyms

Tranylcypromine hydrochloride1986-47-637388-05-9trans-2-Phenylcyclopropylamine hydrochloridetrans-2-Phenylcyclopropanamine hydrochlorideTranylcypromine HCl(1R,2S)-2-phenylcyclopropan-1-amine hydrochlorideDTXSID6047781DTXCID6027761Cyclopropanamine, 2-phenyl-, hydrochloride (1:1), (1R,2S)-rel-rac-(1R,2S)-2-phenylcyclopropan-1-amine hydrochlorideRel-Tranylcypromine HCl

Show more names

(-)-Tranylcypromine HClS(-) Enantiomer of Tranylcypromine(1R,2S)-Tranylcypromine Hydrochloride(+)-Tranylcypromine and (-)-Tranylcypromine(1R,2S)-2-Phenyl-cyclopropylamine hydrochloride(-)-Tranylcypromine HCl ((-)-trans-2-Phenylcyclopropylamine HCl)(-)-Tranylcypromine HydrochlorideQ: What is (-)-Tranylcypromine Hydrochloride Q: What is the CAS Number of (-)-Tranylcypromine Hydrochloride Q: What is the storage condition of (-)-Tranylcypromine Hydrochloride

RefChem:8989282-Phenyl-Cyclopropylamine HClDL-tranylcypromine hydrochloriderac-tranylcypromine hydrochlorideCHEBI:131513(+-)-trans-2-phenylcyclopropylamine hydrochloriderac-(1R,2S)-2-phenylcyclopropan-1-aminium chloride(1R*,2S*)-2-phenylcyclopropan-1-amine hydrochloride

Database identifiers

CAS: 1986-47-6、37388-05-9
PubChem CID: 2723716
DTXSID: DTXSID6047781
ChEMBL: CHEMBL1255743
ChEBI: CHEBI:131514
EC Number: 803-051-4、851-285-0

Properties

Computed structural properties

Topological polar surface area: 26 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

Solubility>25.4 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

InChI: InChI=1/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/s3
InChIKey: ZPEFMSTTZXJOTM-HLRUTPIHNA-N
SMILES: N[C@@H]1C[C@H]1C1C=CC=CC=1.Cl |&1:1,3,r|
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (92.9%)；Skin Irrit. 2 (95.2%)；Eye Irrit. 2 (95.2%)；STOT SE 3 (95.2%)

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Applications · 1 item

Uses(1R,2S)-Tranylcypromine Hydrochloride, is used in the preparation of piperidine derivatives, which serve as LSD1 inhibitors for the treatment of cancer. (1R,2S)-Tranylcypromine-d5 Hydrochloride has also been shown to inhibit gastric emptying in rats.