3a(1H),7′:3′a,3′′a(1′H,1′′H):7′′,3′′′a(1′′′H):7′′′,3′′′′a(1′′′′H)-Quinquepyrrolo[2,3-b]indole, 2,2′,2′′,2′′′,2′′′′,3,3′,3′′,3′′′,3′′′′,8,8′,8′′,8′′′,8′′′′,8a,8′a,8′′a,8′′′a,8′′′′a-eicosahydro-1,1′,1′′,1′′′,1′′′′-pentamethyl-, (3aR,3′aS,3′′aR,3′′′aR,3′′′′aR,8aR,8′aS,8′′aR,8′′′aR,8′′′′aR)-

CAS Registry Number®

52617-25-1

CAS Name

3a(1H),7′:3′a,3′′a(1′H,1′′H):7′′,3′′′a(1′′′H):7′′′,3′′′′a(1′′′′H)-Quinquepyrrolo[2,3-b]indole, 2,2′,2′′,2′′′,2′′′′,3,3′,3′′,3′′′,3′′′′,8,8′,8′′,8′′′,8′′′′,8a,8′a,8′′a,8′′′a,8′′′′a-eicosahydro-1,1′,1′′,1′′′,1′′′′-pentamethyl-, (3aR,3′aS,3′′aR,3′′′aR,3′′′′aR,8aR,8′aS,8′′aR,8′′′aR,8′′′′aR)-

Molecular Formula

C55H62N10

Molecular Mass

863.15

Cite this Page

3a(1H),7′:3′a,3′′a(1′H,1′′H):7′′,3′′′a(1′′′H):7′′′,3′′′′a(1′′′′H)-Quinquepyrrolo[2,3-b]indole, 2,2′,2′′,2′′′,2′′′′,3,3′,3′′,3′′′,3′′′′,8,8′,8′′,8′′′,8′′′′,8a,8′a,8′′a,8′′′a,8′′′′a-eicosahydro-1,1′,1′′,1′′′,1′′′′-pentamethyl-, (3aR,3′aS,3′′aR,3′′′aR,3′′′′aR,8aR,8′aS,8′′aR,8′′′aR,8′′′′aR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52617-25-1 (retrieved 2024-11-22) (CAS RN: 52617-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H62N10/c1-61-28-23-51(33-13-6-8-21-41(33)56-46(51)61)35-15-10-16-36-43(35)58-48-53(36,25-30-63(48)3)38-18-12-20-40-45(38)60-50-55(40,27-32-65(50)5)54-26-31-64(4)49(54)59-44-37(17-11-19-39(44)54)52-24-29-62(2)47(52)57-42-22-9-7-14-34(42)52/h6-22,46-50,56-60H,23-32H2,1-5H3/t46-,47-,48-,49+,50-,51-,52-,53-,54-,55+/m1/s1

InChIKey

InChIKey=DVJSMVZSIBHXAO-CSZYDKBHSA-N

SMILES

CN1[C@@]2([C@@](C=3C(N2)=C(C=CC3)[C@@]45C=6C(N[C@@]4(N(C)CC5)[H])=C(C=CC6)[C@@]78C=9C(N[C@@]7(N(C)CC8)[H])=CC=CC9)(CC1)[C@]%10%11C=%12C(N[C@]%10(N(C)CC%11)[H])=C(C=CC%12)[C@@]%13%14C=%15C(N[C@@]%13(N(C)CC%14)[H])=CC=CC%15)[H]

Canonical SMILES

C=1C=CC2=C(C1)NC3N(C)CCC23C4=CC=CC5=C4NC6N(C)CCC56C7=CC=CC8=C7NC9N(C)CCC89C%10%11C=%12C=CC=C(C%12NC%11N(C)CC%10)C%13%14C=%15C=CC=CC%15NC%14N(C)CC%13

Other Names for this Substance

  • 3a(1H),7′:3′a,3′′a(1′H,1′′H):7′′,3′′′a(1′′′H):7′′′,3′′′′a(1′′′′H)-Quinquepyrrolo[2,3-b]indole, 2,2′,2′′,2′′′,2′′′′,3,3′,3′′,3′′′,3′′′′,8,8′,8′′,8′′′,8′′′′,8a,8′a,8′′a,8′′′a,8′′′′a-eicosahydro-1,1′,1′′,1′′′,1′′′′-pentamethyl-, (3aR,3′aS,3′′aR,3′′′aR,3′′′′aR,8aR,8′aS,8′′aR,8′′′aR,8′′′′aR)-
  • Pyrrolo[2,3-b]indole, psychotridine deriv.
  • Psychotridine
  • (-)-Psychotridine

CAS INSIGHTSTM
Targeted protein degrader structure, illustration