U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H57N5O2.ClH
Molecular Weight 664.363
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of U-74500A

SMILES

Cl.[H][C@@]12C[C@@H](C)[C@H](C(=O)CN3CCN(CC3)C4=NC(=CC=C4N(CC)CC)N(CC)CC)[C@@]1(C)CC=C5[C@@]2([H])CCC6=CC(=O)C=C[C@]56C

InChI

InChIKey=BINFIZGKEZTZIO-ZRTOZFNYSA-N
InChI=1S/C39H57N5O2.ClH/c1-8-42(9-2)33-14-15-35(43(10-3)11-4)40-37(33)44-22-20-41(21-23-44)26-34(46)36-27(5)24-32-30-13-12-28-25-29(45)16-18-38(28,6)31(30)17-19-39(32,36)7;/h14-18,25,27,30,32,36H,8-13,19-24,26H2,1-7H3;1H/t27-,30-,32+,36-,38+,39+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
U-74500A
Common Name English
PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 21-(4-(3,6-BIS(DIETHYLAMINO)-2-PYRIDINYL)-1-PIPERAZINYL)-16-METHYL-, HYDROCHLORIDE, (16.ALPHA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70911497
Created by admin on Fri Dec 15 19:42:17 UTC 2023 , Edited by admin on Fri Dec 15 19:42:17 UTC 2023
PRIMARY
CAS
110101-65-0
Created by admin on Fri Dec 15 19:42:17 UTC 2023 , Edited by admin on Fri Dec 15 19:42:17 UTC 2023
PRIMARY
FDA UNII
IDW4RCM01L
Created by admin on Fri Dec 15 19:42:17 UTC 2023 , Edited by admin on Fri Dec 15 19:42:17 UTC 2023
PRIMARY
PUBCHEM
107964
Created by admin on Fri Dec 15 19:42:17 UTC 2023 , Edited by admin on Fri Dec 15 19:42:17 UTC 2023
PRIMARY