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586846

Sigma-Aldrich

N-Benzoyladenosine

96%

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About This Item

Empirical Formula (Hill Notation):
C17H17N5O5
CAS Number:
4546-55-8
Molecular Weight:
371.35
Beilstein:
632501
MDL number:
MFCD00056988
UNSPSC Code:
12352200
PubChem Substance ID:
24881135
NACRES:
NA.22

Quality Level

100

Assay

96%

form

solid

optical activity

[α]20/D -49°, c = 1% in DMSO

mp

141-145 °C (lit.)

SMILES string

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC(=O)c4ccccc4)ncnc23

InChI

1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1

InChI key

NZDWTKFDAUOODA-CNEMSGBDSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK1582
MKBZ4142V
MKBR5159V
MKBN9243V
MKAA0701

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