POSOVOLONE CITRATE

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 Search

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

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:14:13 UTC 2023` Edited by `admin` on `Sat Dec 16 17:14:13 UTC 2023`
Record UNII	YG4FX5U1KE
Record Status	`Validated (UNII)`
Record Version

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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