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Substance Name: Serpentine (alkaloid)
RN: 18786-24-8
UNII: B503RKE34F
InChIKey: WYTGDNHDOZPMIW-VBNZEHGJSA-N

Note

  • Do not confuse with mineral serpentine.

Molecular Formula

  • C21-H20-N2-O3

Molecular Weight

  • 348.4
 
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Names and Synonyms

Name of Substance

  • Serpentine (alkaloid)

Synonyms

  • 3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19alpha-methyl-18-oxayohimbanium (inneres salz)
  • 3,4,5,6-Tetradehydroajmalicine
  • EINECS 242-570-5
  • NSC 407301
  • Serpentine
  • Serpentine (VAN)
  • UNII-B503RKE34F

Systematic Names

  • (19 alpha)-3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium
  • Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19alpha)- (9CI)
  • Serpentine (alkaloid)

Registry Numbers

CAS Registry Number

  • 18786-24-8

FDA UNII

  • B503RKE34F

Related Registry Numbers

  • 131-07-7 (hydroxide inner salt)
  • 58782-36-8 (hydrogen tartrate[1:1] salt)

System Generated Number

  • 0018786248

Structure Descriptors

InChI

1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16+/m0/s1

InChIKey

WYTGDNHDOZPMIW-VBNZEHGJSA-N

Smiles

COC(=O)C1=CO[C@@H](C)[C@H]2C[n+]3ccc4c5ccccc5[n-]c4c3C[C@H]12