(17S)-17-[2-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-oxoethyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one (Q27163782)

Bio2_000040 (English)

9 October 2016

chemical formula

C₃₇H₅₀N₆O₂

1 reference

Bio2_000040 (English)

9 October 2016

canonical SMILES

CC12CC=C3C(C1CCC2C(=O)CN4CCN(CC4)C5=NC(=NC(=C5)N6CCCC6)N7CCCC7)CCC8=CC(=O)C=CC83C

1 reference

Bio2_000040 (English)

9 October 2016

isomeric SMILES

CC12CC=C3C(C1CC[C@@H]2C(=O)CN4CCN(CC4)C5=NC(=NC(=C5)N6CCCC6)N7CCCC7)CCC8=CC(=O)C=CC83C

1 reference

Bio2_000040 (English)

InChI=1S/C37H50N6O2/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3/t28?,29?,31-,36?,37?/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Bio2_000040 (English)

LBGLGTAQLROFTM-PAHCNOFYSA-N

9 October 2016

InChIKey

2 references

Bio2_000040 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8xi,10xi,13xi,14xi)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}pregna-1,4,9(11)-triene-3,20-dione (English)

9 October 2016

1 reference

Bio2_000040 (English)

9 October 2016

ChEBI ID

91983

mapping relation type

1 reference

(17S)-17-[2-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-oxoethyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one (English)

9 October 2016

1 reference