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Indinavir sulfate 10mg

CAT: 0628-A11871-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A11871-10Size:10 mg
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CAS Number
157810-81-6

Chemical Information

Indinavir Sulfate

Indinavir sulfate is an azaheterocycle sulfate salt. It is functionally related to an indinavir.

CAS Number157810-81-6
PubChem CID5462355
IUPAC Name(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;sulfuric acid
Molecular FormulaC36H49N5O8S
Molecular Weight711.9
Topological Polar Surface Area201
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count50
Formal Charge0
Complexity1030
SMILES
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O
InChI
InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1
InChIKey
NUBQKPWHXMGDLP-BDEHJDMKSA-N
Chemical Structure
2D Structure
2D structure of Indinavir Sulfate
CAS: 157810-81-6
CID: 5462355
Formula: C36H49N5O8S
MW: 711.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight711.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass711.33018471
Monoisotopic Mass711.33018471
Topological Polar Surface Area201 Ų
Heavy Atom Count50
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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T5863-01Indinavir sulfate
HY-B0689A-01Indinavir (sulfate)
HY-B0689BIndinavir (sulfate ethanolate)
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I0797-50-01Indinavir Sulfate (MK-639, Crixivan)
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RM-I140502-01Indinavir Sulfate EP Impurity B
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