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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43Cl2NO3
Molecular Weight 548.584
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TESTIPHENONE

SMILES

[H][C@@]12CC[C@H](OC(=O)CC3=CC=C(C=C3)N(CCCl)CCCl)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC[C@@]5([H])CC(=O)CC[C@]45C

InChI

InChIKey=JWLXQUMDRGJLMS-SJQIPMMSSA-N
InChI=1S/C31H43Cl2NO3/c1-30-13-11-24(35)20-22(30)5-8-25-26-9-10-28(31(26,2)14-12-27(25)30)37-29(36)19-21-3-6-23(7-4-21)34(17-15-32)18-16-33/h3-4,6-7,22,25-28H,5,8-20H2,1-2H3/t22-,25-,26-,27-,28-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H43Cl2NO3
Molecular Weight 548.584
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:02:54 GMT 2023
Edited
by admin
on Sat Dec 16 11:02:54 GMT 2023
Record UNII
3U50JYF0B9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TESTIPHENONE
Common Name English
ANDROSTAN-3-ONE, 17-(((4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)ACETYL)OXY)-, (5.ALPHA.,17.BETA.)-
Systematic Name English
TESTIFENON
Common Name English
Code System Code Type Description
CAS
104730-58-7
Created by admin on Sat Dec 16 11:02:54 GMT 2023 , Edited by admin on Sat Dec 16 11:02:54 GMT 2023
PRIMARY
FDA UNII
3U50JYF0B9
Created by admin on Sat Dec 16 11:02:54 GMT 2023 , Edited by admin on Sat Dec 16 11:02:54 GMT 2023
PRIMARY
PUBCHEM
128659
Created by admin on Sat Dec 16 11:02:54 GMT 2023 , Edited by admin on Sat Dec 16 11:02:54 GMT 2023
PRIMARY
WIKIPEDIA
Testifenon
Created by admin on Sat Dec 16 11:02:54 GMT 2023 , Edited by admin on Sat Dec 16 11:02:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID10909156
Created by admin on Sat Dec 16 11:02:54 GMT 2023 , Edited by admin on Sat Dec 16 11:02:54 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY