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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H48Cl2N4O4S
Molecular Weight 727.783
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-5045337

SMILES

CCOC1=CC(=CC=C1C2=N[C@@](C)(C3=CC=C(Cl)C=C3)[C@](C)(N2C(=O)N4CCN(CCCS(C)(=O)=O)CC4)C5=CC=C(Cl)C=C5)C(C)(C)C

InChI

InChIKey=QBGKPEROWUKSBK-QPPIDDCLSA-N
InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H48Cl2N4O4S
Molecular Weight 727.783
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:32:57 UTC 2023
Edited
by admin
on Sat Dec 16 05:32:57 UTC 2023
Record UNII
Q8MI0X869M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-5045337
Code English
R 7112
Code English
METHANONE, ((4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-(4-(1,1-DIMETHYLETHYL)-2-ETHOXYPHENYL)-4,5-DIHYDRO-4,5-DIMETHYL-1H-IMIDAZOL-1-YL)(4-(3-(METHYLSULFONYL)PROPYL)-1-PIPERAZINYL)-
Common Name English
RG-7112
Code English
RO5045337
Code English
R 7112 [WHO-DD]
Common Name English
RG7112
Code English
MDM2 ANTAGONIST RO5045337
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C129839
Created by admin on Sat Dec 16 05:32:57 UTC 2023 , Edited by admin on Sat Dec 16 05:32:57 UTC 2023
Code System Code Type Description
SMS_ID
100000175235
Created by admin on Sat Dec 16 05:32:57 UTC 2023 , Edited by admin on Sat Dec 16 05:32:57 UTC 2023
PRIMARY
DRUG BANK
DB14793
Created by admin on Sat Dec 16 05:32:57 UTC 2023 , Edited by admin on Sat Dec 16 05:32:57 UTC 2023
PRIMARY
FDA UNII
Q8MI0X869M
Created by admin on Sat Dec 16 05:32:57 UTC 2023 , Edited by admin on Sat Dec 16 05:32:57 UTC 2023
PRIMARY
NCI_THESAURUS
C91724
Created by admin on Sat Dec 16 05:32:57 UTC 2023 , Edited by admin on Sat Dec 16 05:32:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID60240182
Created by admin on Sat Dec 16 05:32:57 UTC 2023 , Edited by admin on Sat Dec 16 05:32:57 UTC 2023
PRIMARY
CAS
939981-39-2
Created by admin on Sat Dec 16 05:32:57 UTC 2023 , Edited by admin on Sat Dec 16 05:32:57 UTC 2023
PRIMARY
PUBCHEM
57406853
Created by admin on Sat Dec 16 05:32:57 UTC 2023 , Edited by admin on Sat Dec 16 05:32:57 UTC 2023
PRIMARY
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