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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H40N2O3.C6H8O7
Molecular Weight 620.7309
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POSOVOLONE CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.[H][C@@]12CC[C@H](C(=O)CN3C=CN=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC[C@@]5([H])C[C@@](O)(COC)CC[C@]45C

InChI

InChIKey=HVBBBURDYXPWJF-UCHQJEKRSA-N
InChI=1S/C26H40N2O3.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h12-13,17-22,30H,4-11,14-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t18-,19-,20-,21-,22+,24-,25-,26+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H40N2O3
Molecular Weight 428.6074
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 Dec 16 17:14:13 GMT 2023
Edited
by admin
on Sat Dec 16 17:14:13 GMT 2023
Record UNII
YG4FX5U1KE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POSOVOLONE CITRATE
Common Name English
CO-134444 CITRATE
Code English
CO134444 CITRATE
Code English
PREGNAN-20-ONE, 3-HYDROXY-21-(1H-IMIDAZOL-1-YL)-3-(METHOXYMETHYL)-, (3.ALPHA.,5.ALPHA.)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
2410846-51-2
Created by admin on Sat Dec 16 17:14:13 GMT 2023 , Edited by admin on Sat Dec 16 17:14:13 GMT 2023
ALTERNATIVE
CAS
2487231-94-5
Created by admin on Sat Dec 16 17:14:13 GMT 2023 , Edited by admin on Sat Dec 16 17:14:13 GMT 2023
PRIMARY
FDA UNII
YG4FX5U1KE
Created by admin on Sat Dec 16 17:14:13 GMT 2023 , Edited by admin on Sat Dec 16 17:14:13 GMT 2023
PRIMARY
CAS
2410846-45-4
Created by admin on Sat Dec 16 17:14:13 GMT 2023 , Edited by admin on Sat Dec 16 17:14:13 GMT 2023
ALTERNATIVE
PUBCHEM
154731577
Created by admin on Sat Dec 16 17:14:13 GMT 2023 , Edited by admin on Sat Dec 16 17:14:13 GMT 2023
PRIMARY PUBCHEM
CAS
2410846-52-3
Created by admin on Sat Dec 16 17:14:13 GMT 2023 , Edited by admin on Sat Dec 16 17:14:13 GMT 2023
NON-SPECIFIC STOICHIOMETRY
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ACTIVE MOIETY