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Substance Name: Allantoin calcium pantothenate
RN: 4207-41-4
UNII: SM1342S52N
InChIKey: RKHUXMOKLPDAKM-KLXURFKVSA-N

Molecular Weight

  • 417.4297
 
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Names and Synonyms

Name of Substance

  • Allantoin calcium pantothenate

Synonyms

  • Allantoin calcium pantothenate
  • Allantoin, di-D-pantothenate, calcium salt (1:1)
  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1)
  • Pantothenic acid, d-, calcium salt (2:1), compd. with allantoin (1:1)
  • UNII-SM1342S52N
  • Urea, (2,5-dioxo-4-imidazolidinyl)-, compd. with (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine calcium salt (1:2:1)

Registry Numbers

CAS Registry Number

  • 4207-41-4

FDA UNII

  • SM1342S52N

System Generated Number

  • 0004207414

Structure Descriptors

InChI

1S/C9H17NO5.C4H6N4O3.Ca/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;5-3(10)6-1-2(9)8-4(11)7-1;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H,(H3,5,6,10)(H2,7,8,9,11);/q;;+2/t7-;;/m0../s1

InChIKey

RKHUXMOKLPDAKM-KLXURFKVSA-N

Smiles

CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O.C1(C(=O)NC(=O)N1)NC(=O)N.[Ca+2]