Translations:Panthenol/1/ja

Panthenol/1/ja

D-パンテノール
Names
Preferred IUPAC name 2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Other names Pantothenol Pantothenyl alcohol N-Pantoylpropanolamine Bepanthen (trade name) Dexpanthenol (D form)
Identifiers
CAS Number	16485-10-2 Y 81-13-0 R Y
3D model (JSmol)	Interactive image
3DMet	B00882
Beilstein Reference	1724945, 1724947 R
ChEBI	CHEBI:27373 N
ChEMBL	ChEMBL1200979 N
ChemSpider	4516 Y 115991 R N 4677984 S N
EC Number	240-540-6
KEGG	D03726 Y D00193
MeSH	dexpanthenol
PubChem CID	4678 131204 R 5748487 S
RTECS number	ES4316500
UNII	WV9CM0O67Z Y 1O6C93RI7Z (R) Y
InChI InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14) Y Key: SNPLKNRPJHDVJA-UHFFFAOYSA-N Y
SMILES CC(C)(CO)C(O)C(=O)NCCCO
Properties
Chemical formula	C9H19NO4
Molar mass	205.254 g·mol−1
Appearance	Highly viscous, colourless liquid
Density	1.2 g mL−1 (at 20 °C)
Melting point	66 to 69 °C (151 to 156 °F; 339 to 342 K)
Boiling point	118 to 120 °C (244 to 248 °F; 391 to 393 K) at 2.7 Pa
log P	−0.989
Acidity (pKa)	13.033
Basicity (pKb)	0.964
Chiral rotation ([α]D)	+29° to +30°
Refractive index (nD)	1.499
Pharmacology
ATC code	A11HA30 (WHO) D03AX03 (WHO), S01XA12 (WHO)
Hazards
NFPA 704 (fire diamond)	1 1 0
Lethal dose or concentration (LD, LC):
LD50 (median dose)	10,100 mg kg−1 (intraperitoneal, mouse); 15,000 mg kg−1 (oral, mouse)
Related compounds
Related compounds	Arginine/ja Theanine/ja パントテン酸 Hopantenic acid/ja

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