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(1S,2R,3R)-Aprepitant structure, CAS 1242175-34-3

(1S,2R,3R)-Aprepitant

CAS Number1242175-34-3

SynonymsExact Mass 534.150208; LogP 4.23; Index of Refraction 1.564; Synonyms

Molecular FormulaC23H21F7N4O3

Molecular Weight285.62

Purity

Density1.5±0.1 g/cm3

Boiling Point

Melting Point

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-0200765 Purity:
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Quality Control of [ 1242175-34-3 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1242175-34-3
Catalog No.2A-0200765
Chinese NameAprepitant
SynonymsExact Mass 534.150208; LogP 4.23; Index of Refraction 1.564; Synonyms
Molecular FormulaC23H21F7N4O3
Molecular Weight285.62
Density1.5±0.1 g/cm3
Appearancesolid
PubChem ID329774176
MDL NumberMFCD11558912
SMILESC[C@]12OB([C@@H]3CCCN3)OC1C[C@H]4C[C@@H]2C4(C)C.Cl
InChI1S/C14H24BNO2.ClH/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12;/h9-12,16H,4-8H2,1-3H3;1H/t9-,10-,11?,12+,14-;/m1./s1
InChI KeyOVVMNBVQOPZMPY-IQRXSETLSA-N
NACRES CodeNA.21
UNSPSC12352212
MSDSmsds/202594_1_1242175_34_3.pdf
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