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Substance Name: Secamine
RN: 34304-16-0
InChIKey: YCGKURZTBBRWSZ-OGRWINDASA-N

Note

  • From Amsonia elliptica.

Molecular Weight

  • 676.897
 
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Names and Synonyms

Name of Substance

  • Secamine

Systematic Name

  • 10-(2-(3-Ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl)- 6-(3-(2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl)-1H-indol-2-yl)-6,7,8,9-tetrahydropyrido(1,2-a)in dole-6,9-dicarboxylic acid, dimethyl ester

Registry Numbers

CAS Registry Number

  • 34304-16-0

System Generated Number

  • 0034304160

Structure Descriptors

InChI

1S/C42H52N4O4/c1-5-29-13-11-23-44(27-29)25-21-33-32-16-8-10-18-37(32)46(3)38(20-19-35(39(33)46)41(47)49-4)42(48)50-40-34(31-15-7-9-17-36(31)43-40)22-26-45-24-12-14-30(6-2)28-45/h7-10,13-20,33-35,38H,5-6,11-12,21-28H2,1-4H3/t33?,34?,35-,38-,46?/m1/s1

InChIKey

YCGKURZTBBRWSZ-OGRWINDASA-N

Smiles

C12=[N@@](c3ccccc3[C@@H]1CC[N@@]1CCC=C(C1)CC)([C@H](C=C[C@H]2C(=O)OC)C(=O)OC1=Nc2ccccc2[C@@H]1CC[N@@]1CCC=C(C1)CC)C