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Substance Name: Tetrahydrosecamine
RN: 33633-19-1
InChIKey: HWBGBIQGALATDY-UHFFFAOYSA-N

Note

  • From Amsonia elliptica.

Molecular Weight

  • 680.928
 
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Names and Synonyms

Name of Substance

  • Tetrahydrosecamine

Systematic Name

  • Pyrido(1,2-a)indole-6,9-dicarboxylic acid, 10-(2-(3-ethyl-1-piperidinyl)ethyl)-6-(3-(2-(3-ethyl-1-piperidinyl)ethyl)-1H-indol-2-yl)-6,7,8,9-tetrahydro-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 33633-19-1

System Generated Number

  • 0033633191

Structure Descriptors

InChI

1S/C42H56N4O4/c1-5-29-13-11-23-44(27-29)25-20-33-32-16-8-10-18-37(32)46-38(33)35(40(47)49-3)19-22-42(46,41(48)50-4)39-34(31-15-7-9-17-36(31)43-39)21-26-45-24-12-14-30(6-2)28-45/h7-10,15-18,29-30,35,43H,5-6,11-14,19-28H2,1-4H3

InChIKey

HWBGBIQGALATDY-UHFFFAOYSA-N

Smiles

n12c(c(CC[N@@]3C[C@@H](CCC3)CC)c3ccccc13)[C@@H](C(OC)=O)CC[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1CC[N@@]1C[C@@H](CCC1)CC