Bietaserpine

CAS Registry Number®

53-18-9

CAS Name

Bietaserpine

Molecular Formula

C39H53N3O9

Molecular Mass

707.85

Cite this Page

Bietaserpine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53-18-9 (retrieved 2024-11-21) (CAS RN: 53-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1

InChIKey

InChIKey=WFTSRDISOMSAQC-ZNFOTRSXSA-N

SMILES

C(CN(CC)CC)N1C=2[C@@]3(N(C[C@@]4([C@](C3)([C@H](C(OC)=O)[C@@H](OC)[C@H](OC(=O)C5=CC(OC)=C(OC)C(OC)=C5)C4)[H])[H])CCC2C=6C1=CC(OC)=CC6)[H]

Canonical SMILES

O=C(OC1CC2CN3CCC=4C=5C=CC(OC)=CC5N(C4C3CC2C(C(=O)OC)C1OC)CCN(CC)CC)C6=CC(OC)=C(OC)C(OC)=C6

Other Names for this Substance

  • Yohimban-16-carboxylic acid, 1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-
  • 3β,20α-Yohimban-16β-carboxylic acid, 1-[2-(diethylamino)ethyl]-18β-hydroxy-11,17α-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
  • Reserpine, 1-[2-(diethylamino)ethyl]-
  • Bietaserpine
  • Methyl 1a,2β,3a,4aα,5,7,8,13,13bβ,14,14aα-dodecahydro-1-[2-(diethylamino)ethyl]-2,11-dimethoxy-3β-(3,4,5-trimethoxybenzoyloxy)benz[g]indolo[2,3-a]quinolizine-1β-carboxylate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration