MECOBALAMIN ,13422-55-4 _Chemical Cloud Database

MECOBALAMIN

Basic Information
Product Name：	MECOBALAMIN
CAS：	13422-55-4
English Synonyms：	METHYCOBAL ; MECOBALAMIN ; VITAMIN B12 ; METHYL-5,6-DIMETHYLBENZIMIDAZOLYLCOBALAMIN ; METHYL VITAMIN B12 ; MECOBALAMINE ; COBALT-METHYLCOBALAMIN ; METHYL-5,6-DIMETHYLBENZIMIDAZOLYLCOBALAMINE ; METHYLCOBALAMIN ; COBINAMIDE, COBALT-METHYL DERIVATIVE, HYDROXIDE, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH 5,6-DIMETHYL-1-ALPHA-D-RIBOFURANOSYLBENZIMIDAZOLE ; METHYL COBALAMINE ; METHYL-B12 ; MBL-A
MDL Number.：	MFCD00082483
H bond acceptor：	27
H bond donor：	9
Smile：	Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/N6[Co+]C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
InChi：	InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChiKey：	InChIKey=JEWJRMKHSMTXPP-WYVZQNDMSA-L
Property
Comments：	CRYSTALLINE
Safety information
WGK Germany：	2

* If the product has intellectual property rights, a license granted is must or contact us.