Revumenib Citrate

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 Search

SMILES

O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(C(C)C)C(=O)C1=C(OC2=C(N=CN=C2)N3CC4(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	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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	C32H47FN6O4S
Molecular Weight	630.817
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:19:53 GMT 2025` Edited by `admin` on `Wed Apr 02 18:19:53 GMT 2025`
Record UNII	YL4RYN734D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REVUFORJ

Preferred Name

English

Revumenib Citrate

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

SMS_ID

300000051160