SODIUM DEHYDROCHOLATE

CAS No.
81-23-2 ;145-41-5
CCD No.
CCD00043957
Formula
C24 H33 O5 . Na
MolWeight
424.51

Basic Information

Product Name: SODIUM DEHYDROCHOLATE
CAS: 81-23-2 ;145-41-5
English Synonyms: DEHYDROCHLORIC ACID, NA SALT ; SODIUM DEHYDROCHOLATE ; BILIRON ; 5BETA-CHOLANIC ACID-3,7,12-TRIONE SODIUM SALT ; 5BETA-CHOLANIC ACID-3,7,12-TRIONE SODIUM ; CARACHOL ; 3,7,12-TRIOXO-5BETA-CHOLANIC ACID SODIUM SALT ; SODIUM DEOXYCHOLATE MONOHYDRATE ; DEHYDROCHOLIC ACID SODIUM SALT
MDL Number.: MFCD00066411
H bond acceptor: 5
H bond donor: 0
Smile: C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C.[Na+]
InChi: InChI=1S/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1
InChiKey: InChIKey=FKJIJBSJQSMPTI-CAOXKPNISA-M

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