Amsacrine hydrochloride

CAT: 0127-BUP15742-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15742-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

54301-15-4

Synonyms

Acridinyl anisidide hydrochloride, m-AMSA hydrochloride

Purity

=98%

Smiles

Cl.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12

Chemical Information

Amsacrine Hydrochloride

See also: Amsacrine (annotation moved to).

CAS Number	54301-15-4
PubChem CID	148673
IUPAC Name	N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride
Molecular Formula	C21H20ClN3O3S
Molecular Weight	429.9
Topological Polar Surface Area	88.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	601

SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl

InChI

InChI=1S/C21H19N3O3S.ClH/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-13,24H,1-2H3,(H,22,23);1H

InChIKey

WDISRLXRMMTXEV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54301-15-4

CID: 148673

Formula: C21H20ClN3O3S

MW: 429.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	429.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	429.0913904
Monoisotopic Mass	429.0913904
Topological Polar Surface Area	88.7 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	601
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
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