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Tetrapyrroles and derivatives

Organic polycyclic compounds that contain four pyrrole or pyrrole-like rings in their structure. Includes compounds derived from tetrapyrroles.
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Methylcobalamin Hydrate 98.0+%, TCI America™

CAS: 288315-09-3 Molecular Formula: C63H91CoN13O14P Molecular Weight (g/mol): 1344.40 MDL Number: MFCD00149221 InChI Key: XVLRGRFESMDSFT-BVWPOUIRNA-L Synonym: Mecobalamin PubChem CID: 133556284 IUPAC Name: (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-46-hydroxy-12-(hydroxymethyl)-1,5,6,17,23,28,31,31,36,38,41,42-dodecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate SMILES: C(CC(N)=O)[C@@H]1C(CC(N)=O)(C)C2=[N+]3[Co+]456([N+]7=CN([C@]8(O[C@@H]([C@](OP(OC(CNC(CCC9([C@H](CC(N)=O)C([N+]4=C9C(C)=C4[N+]5=C(C(C4CCC(N)=O)(C)C)C=C13)C1([C@](CC(N)=O)(C(CCC(N)=O)C(=C2C)N61)C)C)C)=O)C)([O-])=O)(C8O)[H])CO)[H])C1=CC(C)=C(C=C71)C)C

PubChem CID 133556284
CAS 288315-09-3
Molecular Weight (g/mol) 1344.40
MDL Number MFCD00149221
SMILES C(CC(N)=O)[C@@H]1C(CC(N)=O)(C)C2=[N+]3[Co+]456([N+]7=CN([C@]8(O[C@@H]([C@](OP(OC(CNC(CCC9([C@H](CC(N)=O)C([N+]4=C9C(C)=C4[N+]5=C(C(C4CCC(N)=O)(C)C)C=C13)C1([C@](CC(N)=O)(C(CCC(N)=O)C(=C2C)N61)C)C)C)=O)C)([O-])=O)(C8O)[H])CO)[H])C1=CC(C)=C(C=C71)C)C
Synonym Mecobalamin
IUPAC Name (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-46-hydroxy-12-(hydroxymethyl)-1,5,6,17,23,28,31,31,36,38,41,42-dodecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate
InChI Key XVLRGRFESMDSFT-BVWPOUIRNA-L
Molecular Formula C63H91CoN13O14P