4207-41-4 (尿囊素泛酸钙,Allantoin calcium D-pantothenate)

CAS号:
4207-41-4
中文名称:
尿囊素泛酸钙
英文名称:
Allantoin calcium D-pantothenate
分子式:
C13H23CaN5O8
分子量:
417.428422212601

尿囊素泛酸钙(4207-41-4)名称与标识符

名称

中文别名:
尿囊素泛酸钙;尿囊素泛酸钙;
英文别名:
ALLANTOIN CALCIUM PANTOTHENATE;calcium,3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid,(2,5-dioxoimidazolidin-4-yl)urea;Allantoin calcium D-pantothenate;

标识符

InChIKey:
RKHUXMOKLPDAKM-KLXURFKVSA-N
Inchi:
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
SMILES:
CC([C@@](O)(C(NCCC(O)=O)=O)[H])(CO)C.C1(NC(N)=O)NC(=O)NC1=O.[Ca+2]