 Home > Encyclopedia > [(3S,3aR,6S,6aS)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride

[(3S,3aR,6S,6aS)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride

[(3S,3aR,6S,6aS)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride structure

CAS No:
134185-71-0
Formula:
C19H26ClN5O5
Chemical Name:
[(3S,3aR,6S,6aS)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride
Synonyms:
L-Iditol,1,4:3,6-dianhydro-2-(4-(2-(1H-benzimidazol-2-yl)ethyl)-1-piperazinyl)-2-deoxy-,5-nitrate,hydrochloride; [(3S,3aR,6S,6aS)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride;

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[(3S,3aR,6S,6aS)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride Basic Attributes

Molecular Weight：

439.89300

Exact Mass：

439.1622466

Characteristics

PSA：

108.67000

XLogP3：

1.66710

Boiling Point：

643ºC

Flash Point：

341ºC

Vapor Pressure：

2.73E-16mmHg at 25°C

Computed Properties

Molecular Weight:439.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:439.1622466
Monoisotopic Mass:439.1622466
Topological Polar Surface Area:109
Heavy Atom Count:30
Complexity:584
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of [(3S,3aR,6S,6aS)-3-[4-[2-(1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride

Basic Attributes
Characteristics
Computed Properties
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