GLYCOCHOLIC ACID-(GLYCYL-1-13C) MONOHYDRATE ,64431-95-4 _ChemCD

GLYCOCHOLIC ACID-(GLYCYL-1-13C) MONOHYDRATE

basic_info
Product_Name：	GLYCOCHOLIC ACID-(GLYCYL-1-13C) MONOHYDRATE
CAS：	64431-95-4
EnglishSynonyms：	GLYCOCHOLIC ACID-(GLYCYL-1-13C) MONOHYDRATE ; GLYCOCHOLIC ACID-13C1 (GLYCYL-1-13C),98 ATOM % D
pro_mdlNumber：	MFCD00167404
pro_acceptors：	7
pro_donors：	5
pro_smile：	C[C@H](CCC(=O)NC[13C](=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O
InChi：	InChI=1S/C26H43NO6.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);1H2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1/i23+1;
InChiKey：	InChIKey=WDKPRHOCWKLQPK-TXDHSPGBSA-N
property
MeltingPoint：	135-140 DEG C(LIT)
Comments：	APPLICATION: SUBSTRATE USED FOR 13CO2 BREATH TESTS IN ILEAL DYSFUNCTION DIAGNOSIS MASS SHIFT: M+1 UNSPSC: 12142200 WGK: 3
Information：	ISOTOPIC PURITY: 99 ATOM% 13C MW: 484.66 BY ATOM% CALCULATION
secure_info
secure_wgk_germany：	3

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