Amustaline Dihydrochloride
Basic information
- CAS
210584-54-6- Standard SMILES
Cl.Cl.O=C(CCNc1c2ccccc2nc2ccccc12)OCCN(CCCl)CCCl- InChIKey
WEOLKSYHLNAIRH-UHFFFAOYSA-N- Molecular formula
- C22H27Cl4N3O2
- Average molar mass
- 507.3 g/mol
- Monoisotopic mass
- 505.085738
Overview
Amustaline Dihydrochloride is the hydrochloride salt form of amustaline, a quinacrine mustard compound with potential antineoplastic activity. Amustaline binds to, intercalates and crosslinks DNA and RNA. This agent is mainly used for ex vivo purposes, specifically for the inactivation of pathogens such as viruses, protozoa and bacteria in red blood cells (RBCs).
Names & identifiers
- Preferred name
- Amustaline Dihydrochloride
- IUPAC
- 2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate;dihydrochloride
- English name
- Amustaline Dihydrochloride
- Molecular formula
- C22H26Cl3N3O2
- Molecular weight
- 470.82
Names & synonyms
Amustaline Dihydrochloride210584-54-6Amustaline HClC5MKX7XOYAUNII-C5MKX7XOYAS-303.2HClS-303 DIHYDROCHLORIDES 303 dihydrochlorideAmustaline Dihydrochloride [USAN]beta-Alanine, N-9-acridinyl-, 2-(bis(2-chloroethyl)amino)ethyl ester, dihydrochlorideDTXSID80175285Amustaline dihydrochloride (USAN)
Show more names
Amustalineβ-Alanine, N-9-acridinyl-, 2-[bis(2-chloroethyl)amino]ethyl ester, hydrochloride (1:2)
2-(Bis(2-chloroethyl)amino)ethyl 3-(acridin-9-ylamino)propanoate dihydrochloride2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate dihydrochloride.BETA.-ALANINE, N-9-ACRIDINYL-, 2-(BIS(2-CHLOROETHYL)AMINO)ETHYL ESTER, DIHYDROCHLORIDERefChem:112372DTXCID2097776Amustaline (dihydrochloride)2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate;dihydrochlorideAmustaline 2HCl
Database identifiers
- CAS
210584-54-6- PubChem CID
- 6433103
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- form
- Solid
- color
- Yellow to brown
- FDA UNII
- 5 MKX7XOYA · C5MKX7XOYA
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301-H360-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS06
- Hazard statements
- H319-H301-H360-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesEx-vivo blood bank process for inactivation of viruses, bacteria, parasites, and leukocytes in red blood cells (nucleic acid alkylator).
Suppliers
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Related reactions
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Compound notes
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