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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H37NO5
Molecular Weight 491.6185
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CDB-4453

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(=O)COC)[C@@]1(C)C[C@]([H])(C3=CC=C(NC)C=C3)C4=C5CCC(=O)C=C5CC[C@@]24[H]

InChI

InChIKey=MCABXKINPWWXRD-GJDJGZIVSA-N
InChI=1S/C30H37NO5/c1-18(32)36-30(27(34)17-35-4)14-13-26-24-11-7-20-15-22(33)10-12-23(20)28(24)25(16-29(26,30)2)19-5-8-21(31-3)9-6-19/h5-6,8-9,15,24-26,31H,7,10-14,16-17H2,1-4H3/t24-,25+,26-,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H37NO5
Molecular Weight 491.6185
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:59:10 GMT 2023
Edited
by admin
on Sat Dec 16 09:59:10 GMT 2023
Record UNII
48I9KM8WV8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CDB-4453
Common Name English
MONODEMETHYLATED TELAPRISTONE ACETATE
Common Name English
19-NORPREGNA-4,9-DIENE-3,20-DIONE, 17-(ACETYLOXY)-21-METHOXY-11-(4-(METHYLAMINO)PHENYL)-, (11.BETA.)-
Systematic Name English
Code System Code Type Description
CAS
365416-28-0
Created by admin on Sat Dec 16 09:59:10 GMT 2023 , Edited by admin on Sat Dec 16 09:59:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID10190042
Created by admin on Sat Dec 16 09:59:10 GMT 2023 , Edited by admin on Sat Dec 16 09:59:10 GMT 2023
PRIMARY
PUBCHEM
56842811
Created by admin on Sat Dec 16 09:59:10 GMT 2023 , Edited by admin on Sat Dec 16 09:59:10 GMT 2023
PRIMARY
FDA UNII
48I9KM8WV8
Created by admin on Sat Dec 16 09:59:10 GMT 2023 , Edited by admin on Sat Dec 16 09:59:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MAJOR
PLASMA