SUBASUMSTAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28ClN5O5S2
Molecular Weight	578.103
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C=C(S1)C(=O)C2=C(N[C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)C3)N=CN=C2)[C@@H]4NCCC5=C4C=C(Cl)C=C5

InChI

InChIKey=LXRZVMYMQHNYJB-UNXOBOICSA-N

InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H28ClN5O5S2
Molecular Weight	578.103
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:38:34 GMT 2023` Edited by `admin` on `Sat Dec 16 14:38:34 GMT 2023`
Record UNII	XQ43H3V6M1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SUBASUMSTAT

Official Name

English

SUMOYLATION INHIBITOR TAK-981

Common Name

English

subasumstat [INN]

Common Name

English

Subasumstat [WHO-DD]

Common Name

English

TAK-981

Code

English

((1R,2S,4R)-4-((5-((4-((1R)-7-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)-5-METHYLTHIEN-2-YL)CARBONYL)PYRIMIDIN-4-YL)AMINO)-2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE

Systematic Name

English

SULFAMIC ACID, ((1R,2S,4R)-4-((5-((4-((1R)-7-CHLORO-1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYL)-5-METHYL-2-THIENYL)CARBONYL)-4-PYRIMIDINYL)AMINO)-2-HYDROXYCYCLOPENTYL)METHYL ESTER

Systematic Name

English

SUBASUMSTAT [USAN]

Common Name

English

Code System Code Type Description

FDA UNII

XQ43H3V6M1