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Substance Name: 15,23-Dihydrosirohydrochlorin
RN: 82542-92-5
InChIKey: CSWLXNNNLVVXKD-ASRNANMLSA-N

Molecular Formula

  • C42-H48-N4-O16

Molecular Weight

  • 864.853
 
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Names and Synonyms

Name of Substance

  • 15,23-Dihydrosirohydrochlorin

Synonym

  • Precorrin 2

Systematic Name

  • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(carboxymethyl)-7,8,12,13,20,24-hexahydro-8,13-dimethyl-, (7S-(7alpha,8beta,12alpha,13beta))-

Registry Numbers

CAS Registry Number

  • 82542-92-5

System Generated Number

  • 0082542925

Structure Descriptors

InChI

1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,30-16-,31-15-

InChIKey

CSWLXNNNLVVXKD-ASRNANMLSA-N

Smiles

C(C(O)=O)C[C@@H]1[C@@](C=2C=C3NC([C@@](C)(CC(O)=O)[C@@H]3CCC(=O)O)=Cc3[nH]c(Cc4[nH]c(c(CC(O)=O)c4CCC(O)=O)C=C1N2)c(c3CC(O)=O)CCC(O)=O)(C)CC(O)=O