TEZACAFTOR structure, CAS 381212-03-9

TEZACAFTOR

CAS Number381212-03-9

SynonymsM5181; Pefcalcitol; UNII-KT5224XSHW; Pefcalcitol [INN]

Molecular FormulaC26H27O6N2F3

Molecular Weight520.51

Purity

Density1.3±0.1 g/cm3

Boiling Point614.0±55.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

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Symbol

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Cat. No.: 2A-3185627 Purity:
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Quality Control of [ 381212-03-9 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number381212-03-9
Catalog No.2A-3185627
Chinese NamePefcalcitol
SynonymsM5181; Pefcalcitol; UNII-KT5224XSHW; Pefcalcitol [INN]
Molecular FormulaC26H27O6N2F3
Molecular Weight520.51
Density1.3±0.1 g/cm3
Boiling Point614.0±55.0 °C at 760 mmHg
ApplicationPefcalcitol is a novel anti-ulcer drug candidate with a 16-en-22-oxa-vitamin D3 structure.
PubChem ID24771534
MDL NumberMFCD23106064
SMILESC=C1C(=CC=C2CCCC3(C)C(C(C)OCC(=O)NCC(F)(F)C(F)(F)F)=CCC23)CC(O)CC1O
InChIInChI=1S/C26H34F5NO4/c1-15-18(11-19(33)12-22(15)34)7-6-17-5-4-10-24(3)20(8-9-21(17)24)16(2)36-13-23(35)32-14-25(27,28)26(29,30)31/h6-8,16,19,21-22,33-34H,1,4-5,9-14H2,2-3H3,(H,32,35)/b17-6+,18-7-/t16-,19+,21-,22-,24+/m0/s1
InChI KeySVCSMAZYWOQCBW-NVJMFHFGSA-N
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