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About This Item
Empirical Formula (Hill Notation):
C17H21N3O4S
CAS Number:
Molecular Weight:
363.43
NACRES:
NA.79
PubChem Substance ID:
eCl@ss:
34058011
UNSPSC Code:
12352106
MDL number:
Beilstein/REAXYS Number:
50100
Quality Segment
assay
≥98.0% (HPLC)
form
powder
optical activity
[α]20/D +55±3°, c = 0.5% in 0.1 M NaOH
color
white to light yellow
mp
295-297 °C
storage temp.
2-8°C
SMILES string
[H][C@]12CS[C@@H](CCCCC(=O)Nc3ccc(cc3)C(O)=O)[C@@]1([H])NC(=O)N2
InChI
1S/C17H21N3O4S/c21-14(18-11-7-5-10(6-8-11)16(22)23)4-2-1-3-13-15-12(9-25-13)19-17(24)20-15/h5-8,12-13,15H,1-4,9H2,(H,18,21)(H,22,23)(H2,19,20,24)/t12-,13-,15-/m0/s1
InChI key
PVMDAMXGKHIMSQ-YDHLFZDLSA-N
Biochem/physiol Actions
Biotinyl-4-aminobenzoic acid (B-PABA) is used as a substrate in biotinidase assays.
Other Notes
Enzyme substrate used in the assay of biotinidase
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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