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Details

Stereochemistry ACHIRAL
Molecular Formula C32H47FN6O4S.C6H8O7.H2O
Molecular Weight 840.956
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Revumenib Citrate

SMILES

O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(C(C)C)C(=O)C1=C(OC2=CN=CN=C2N3CC4(C3)CCN(C[C@H]5CC[C@@H](CC5)NS(=O)(=O)CC)CC4)C=CC(F)=C1

InChI

InChIKey=UBXFWTFPYATLBT-SGBGZXBGSA-N
InChI=1S/C32H47FN6O4S.C6H8O7.H2O/c1-5-39(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;7-3(8)1-6(13,5(11)12)2-4(9)10;/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t24-,26-;;

HIDE SMILES / InChI

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

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 H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:08:59 GMT 2023
Edited
by admin
on Sat Dec 16 20:08:59 GMT 2023
Record UNII
YL4RYN734D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Revumenib Citrate
USAN  
Official Name English
2-{[4-(7-{[trans-4-(ethanesulfonamido)cyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide—2-hydroxypropane-1,2,3-tricarboxylic acid monohydrate
Systematic Name 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)-, 2-hydroxy-1,2,3-propanetricarboxylate, hydrate (1:1:1)
Systematic Name English
REVUMENIB MONOCITRATE MONOHYDRATE
Common Name English
REVUMENIB CITRATE [USAN]
Common Name English
Code System Code Type Description
CAS
2761046-45-9
Created by admin on Sat Dec 16 20:09:00 GMT 2023 , Edited by admin on Sat Dec 16 20:09:00 GMT 2023
PRIMARY
USAN
LM-176
Created by admin on Sat Dec 16 20:09:00 GMT 2023 , Edited by admin on Sat Dec 16 20:09:00 GMT 2023
PRIMARY
FDA UNII
YL4RYN734D
Created by admin on Sat Dec 16 20:09:00 GMT 2023 , Edited by admin on Sat Dec 16 20:09:00 GMT 2023
PRIMARY
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