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Reference substances

Reference substances

Currently viewing:
IUPAC name:
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

Inventory

EC number:
201-327-3
EC name:
Dexpanthenol
CAS number:
81-13-0
CAS number:
81-13-0
Synonyms
Names:
(+)-Panthenol
Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (2R)-
Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (R)-
D-Panthenol
Identifier:
IUPAC name
(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Identifier:
other: InChl
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)/t7-/m0/s1
Identifier:
other: SMILES notation
CC(C)(CO)C(C(=O)NCCCO)O
Identifier:
other: InChl
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)/t7-/m0/s1
Identifier:
other: SMILES notation
[C@H](C(NCCCO)=O)(C(CO)(C)C)O
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

Molecular and structural information

Molecular formula:
C9H19NO4
Molecular weight:
205.251
SMILES notation:
CC(C)(CO)C(O)C(=O)NCCCO
InChl:
InChI=1/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)
Structural formula:
Chemical structure

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