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Details

Stereochemistry ACHIRAL
Molecular Formula 2C32H47FN6O4S.3C4H4O4
Molecular Weight 1609.85
Optical Activity NONE
Defined Stereocenters 4 / 4
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of Revumenib sesquifumarate

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CCN(C(C)C)C(=O)C1=CC(F)=CC=C1OC2=C(N=CN=C2)N3CC4(C3)CCN(C[C@H]5CC[C@@H](CC5)NS(=O)(=O)CC)CC4.CCN(C(C)C)C(=O)C6=CC(F)=CC=C6OC7=C(N=CN=C7)N8CC9(C8)CCN(C[C@H]%10CC[C@@H](CC%10)NS(=O)(=O)CC)CC9

InChI

InChIKey=AXNUWYROYVRYIM-OQIJCFCCSA-N
InChI=1S/2C32H47FN6O4S.3C4H4O4/c2*1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2;3*5-3(6)1-2-4(7)8/h2*9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*24-,26-;;;

HIDE SMILES / InChI

Molecular Formula C32H47FN6O4S
Molecular Weight 630.817
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED
StereoComments RELATIVE STEREOCHEMISTRY

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 Sat Dec 16 14:35:19 UTC 2023
Edited
by admin
on Sat Dec 16 14:35:19 UTC 2023
Record UNII
75HI05N8HS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Revumenib sesquifumarate
Common Name English
SNDX50613
Code English
Benzamide, N-ethyl-2-[[4-[7-[[trans-4-[(ethylsulfonyl)amino]cyclohexyl]methyl]-2,7-diazaspiro[3.5]non-2-yl]-5-pyrimidinyl]oxy]-5-fluoro-N-(1-methylethyl)-, (2E)-2-butenedioate (2:3)
Systematic Name English
SNDX-5613
Code English
SNDX-50613
Code English
SNDX5613
Code English
SNDX 5613 [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 734520
Created by admin on Sat Dec 16 14:35:19 UTC 2023 , Edited by admin on Sat Dec 16 14:35:19 UTC 2023
Code System Code Type Description
FDA UNII
75HI05N8HS
Created by admin on Sat Dec 16 14:35:19 UTC 2023 , Edited by admin on Sat Dec 16 14:35:19 UTC 2023
PRIMARY
CAS
2169919-22-4
Created by admin on Sat Dec 16 14:35:19 UTC 2023 , Edited by admin on Sat Dec 16 14:35:19 UTC 2023
PRIMARY
SMS_ID
300000015780
Created by admin on Sat Dec 16 14:35:19 UTC 2023 , Edited by admin on Sat Dec 16 14:35:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY