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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
tert-butyl 2-[(4R,6S)-6-{2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Inventory

EC number:
432-810-9
EC name:
-
CAS number:
-
Description:
BEM 4522
CAS number:
1379976-09-6
Synonyms
Names:
BEM
ZD4522 BEM
Identifier:
other: Molecular formula
C29H40FN3O6S
Identifier:
other: SMILES notation
CC(C)C1=NC(N(C)S(=O)(C)=O)=NC(C2=CC=C(F)C=C2)=C1/C=C/[C@@H]3C[C@@H](OC(C)(C)O3)CC(OC(C)(C)C)=O
Identifier:
other: InChl
InChI=1S/C29H40FN3O6S/c1-18(2)25-23(15-14-21-16-22(38-29(6,7)37-21)17-24(34)39-28(3,4)5)26(19-10-12-20(30)13-11-19)32-27(31-25)33(8)40(9,35)36/h10-15,18,21-22H,16-17H2,1-9H3/b15-14+/t21-,22-/m1/s1
tert-butyl 2-((4R,6S)-6-((E)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Molecular and structural information

Molecular formula:
Hill formula: C29 H40 F N3 O6 S
Molecular weight:
577.7
SMILES notation:
-
InChl:
-
Structural formula:
Chemical structure

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