Aliskiren Hemifumarate

CAT: 1596-AR-A01642-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A01642-01Size:10 Units

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CAS Number

173334-58-2

Synonyms

(2S,4S,5S,7S) -5-amino-N- (3-amino-2,2-dimethyl-3-oxopropyl) -4-hydroxy-2-isopropyl-7- (4-methoxy-3- (3-methoxypropoxy) benzyl) -8-methylnonanamide fumarate; Tekturna; Aliskiren fumarate; Aliskiren hemifumarate

Molecular Formula

C30H53N3O6. 0.5 C4H4O4

Molecular Weight

551.77 0.5 116.07

API Name

Aliskiren

Chemical Information

Aliskiren Hemifumarate

Aliskiren fumarate is the hemifumarate salt of aliskiren. It has a role as an antihypertensive agent. It contains an aliskiren.

CAS Number	173334-58-2
PubChem CID	6918427
IUPAC Name	bis((2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide);(E)-but-2-enedioic acid
Molecular Formula	C64H110N6O16
Molecular Weight	1219.6
Topological Polar Surface Area	367
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	40
Heavy Atom Count	86
Formal Charge	0
Complexity	836

SMILES

CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1

InChIKey

KLRSDBSKUSSCGU-KRQUFFFQSA-N

Chemical Structure

2D Structure

CAS: 173334-58-2

CID: 6918427

Formula: C64H110N6O16

MW: 1219.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1219.6
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	40
Exact Mass	1218.79783144
Monoisotopic Mass	1218.79783144
Topological Polar Surface Area	367 Å²
Heavy Atom Count	86
Formal Charge	0
Complexity	836
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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AR-A05931-01	Aliskiren-d6 Hemifumarate
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AR-A01650-01	Desmethoxy Aliskiren Impurity
AR-A01644-01	N-Boc Aliskiren
AR-A05929-01	Desmethoxy Aliskiren Impurity
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AR-A01654-01	Aliskiren Impurity 1
AR-A01651-01	Hydroxy Aliskiren Impurity

Alternative Products

Catalog	Name
HY-12177-01	Aliskiren (hemifumarate)
TRC-A536001-2MG	Aliskiren Hemifumarate

Aliskiren Hemifumarate

Chemical Information

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