Pacritinib

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Pacritinib

Molecular FormulaC₂₈H₃₂N₄O₃

Average mass472.579 Da

Monoisotopic mass472.247437 Da

ChemSpider ID28518965

- Double-bond stereo

More details:

Systematic name

(16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.1~2,6~.1~8,12~]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene

SMILES

c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5
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Std. InChi

InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+

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Std. InChIKey

HWXVIOGONBBTBY-ONEGZZNKSA-N
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Cite this record

CSID:28518965, http://www.chemspider.com/Chemical-Structure.28518965.html (accessed 06:56, Oct 12, 2018)
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NamesNames

Properties

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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

function wikipediaPartnerLink()

partnerLink(133,'Wikipedia','link');

((2E,16E)-11-[2-(pirrolidin-1-il)etoxi]-14,19-dioxa- 5,7,27-triazatetraciclo[19.3.1.12,6.18,12]heptacosa1(25),2,4,6,8,10,12(26),16,21,23-decaeno
[Spanish]

((2E,16E)-11-[2-(pyrrolidin-1-yl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6,8,10,12(26),16,21,23-decaene

(16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.1^2,6.1^8,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaen
[German]

[ACD/IUPAC Name]

(16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.1^2,6.1^8,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene

[ACD/IUPAC Name]

(16E)-11-[2-(1-Pyrrolidinyl)éthoxy]-14,19-dioxa-5,7,27-triazatétracyclo[19.3.1.1^2,6.1^8,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-décaène
[French]

[ACD/IUPAC Name]

(16E)-11-[2-(pyrrolidin-1-yl)éthoxy]-14,19-dioxa-5,7,27-triazatétracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2,4,6,8,10,12(26),16,21(25),22-décaène
[French]

14,19-Dioxa-5,7,27-triazatetracyclo[19.3.1.1^2,6.1^8,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, 11-[2-(1-pyrrolidinyl)ethoxy]-, (16E)-

[ACD/Index Name]

937272-79-2

[RN]

9385

G22N65IL3O

More...

pacritinib
[Spanish]

[INN]

pacritinib
[French]

[INN]

Pacritinib

[INN]

[USAN]

[Wiki]

pacritinibum
[Latin]

SB1518

[937272-79-2]

11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene

11-[2-(1-pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16E,21,23-decaene

MFCD22572772

Pacritinib (SB1518)

pacritinib(sb1518)

SB-1518

SB-1518|SB1518

UNII:G22N65IL3O

UNII-G22N65IL3O

Less...

function acdLabsPartnerLink()
partnerLink(2, 'ACDLabs', 'link');

Predicted - ACD/Labs

Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:	1.2±0.1 g/cm³
Boiling Point:	711.4±70.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization:	104.0±3.0 kJ/mol
Flash Point:	384.0±35.7 °C
Index of Refraction:	1.574
Molar Refractivity:	135.1±0.3 cm³
#H bond acceptors:	7
#H bond donors:	1
#Freely Rotating Bonds:	4
#Rule of 5 Violations:	0

ACD/LogP:	4.23
ACD/LogD (pH 5.5):	1.01
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	3.39
ACD/LogD (pH 7.4):	1.93
ACD/BCF (pH 7.4):	5.25
ACD/KOC (pH 7.4):	28.13
Polar Surface Area:	69 Å²
Polarizability:	53.6±0.5 10^-24cm³
Surface Tension:	44.9±3.0 dyne/cm
Molar Volume:	409.7±3.0 cm³

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