Roginolisib hemifumarate

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C26H27FN4O5S.C4H4O4
Molecular Weight	1169.232
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.FC1=CC=CC2=C1S(=O)(=O)CC3=C2N(N=C3C(=O)N4CCOCC4)C5=CC=C(CN6CCOCC6)C=C5.FC7=CC=CC8=C7S(=O)(=O)CC9=C8N(N=C9C(=O)N%10CCOCC%10)C%11=CC=C(CN%12CCOCC%12)C=C%11

InChI

InChIKey=GSMZEFQGEJPDES-WXXKFALUSA-N

InChI=1S/2C26H27FN4O5S.C4H4O4/c2*27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29;5-3(6)1-2-4(7)8/h2*1-7H,8-17H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI

Molecular Formula	C26H27FN4O5S
Molecular Weight	526.58
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:09:16 GMT 2025` Edited by `admin` on `Wed Apr 02 12:09:16 GMT 2025`
Record UNII	W8JCY5F7F3
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Roginolisib hemifumarate

Common Name

English

MSC-2360844 hemifumarate

Preferred Name

English

Methanone, [6-fluoro-1,4-dihydro-1-[4-(4-morpholinylmethyl)phenyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinyl-, (2E)-2-butenedioate (2:1)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

908222