CAS 177949-23-4 | Pregn-9(11)-ene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methyl-, (5α,16α)- (9CI) | CAS Number 177949-23-4

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177949-23-4 | Pregn-9(11)-ene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methyl-, (5α,16α)- (9CI)

CAS No: 177949-23-4 Catalog No: AG0025MQ MDL No:

Product Description

Catalog Number:

AG0025MQ

Chemical Name:

Pregn-9(11)-ene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methyl-, (5α,16α)- (9CI)

CAS Number:

177949-23-4

Molecular Formula:

C38H56N6O2

Molecular Weight:

628.8902

IUPAC Name:

(5S,8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

InChI:

InChI=1S/C38H56N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h11,24,26-27,29,31,35H,4-10,12-23,25H2,1-3H3/t26-,27+,29-,31+,35-,37+,38+/m1/s1

InChI Key:

WRNMRVBOHSMWSW-WRBMMJCCSA-N

SMILES:

O=C1CC[C@]2([C@H](C1)CC[C@@H]1C2=CC[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)C)C)C