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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H40N2O3
Molecular Weight 428.6084
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CO-134444

SMILES

C[C@@]12CC[C@@](C[C@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(=O)Cn5ccnc5)[C@@]4(C)CC[C@@]31[H])(COC)O

InChI

InChIKey=BRVGKZNQWCQKTC-MVCIVNJCSA-N
InChI=1S/C26H40N2O3/c1-24-10-11-26(30,16-31-3)14-18(24)4-5-19-20-6-7-22(25(20,2)9-8-21(19)24)23(29)15-28-13-12-27-17-28/h12-13,17-22,30H,4-11,14-16H2,1-3H3/t18-,19-,20-,21-,22+,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H40N2O3
Molecular Weight 428.6084
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:26:39 UTC 2021
Edited
by admin
on Sat Jun 26 15:26:39 UTC 2021
Record UNII
1GA9JVO9ZA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CO-134444
Code English
AL-30011
Code English
(3.ALPHA.,5.ALPHA.)-3-HYDROXY-21-(1H-IMIDAZOL-1-YL)-3-(METHOXYMETHYL)PREGNAN-20-ONE
Systematic Name English
CO134444
Code English
AL30011
Code English
PREGNAN-20-ONE, 3-HYDROXY-21-(1H-IMIDAZOL-1-YL)-3-(METHOXYMETHYL)-, (3.ALPHA.,5.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9802683
Created by admin on Sat Jun 26 15:26:39 UTC 2021 , Edited by admin on Sat Jun 26 15:26:39 UTC 2021
PRIMARY PUBCHEM
CAS
256955-84-7
Created by admin on Sat Jun 26 15:26:39 UTC 2021 , Edited by admin on Sat Jun 26 15:26:39 UTC 2021
PRIMARY
FDA UNII
1GA9JVO9ZA
Created by admin on Sat Jun 26 15:26:39 UTC 2021 , Edited by admin on Sat Jun 26 15:26:39 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET->MODULATOR
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ACTIVE MOIETY