ADAVOSERTIB HEMIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C27H32N8O2.H2O
Molecular Weight	1019.206
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CN1CCN(CC1)C2=CC=C(NC3=NC=C4C(=O)N(CC=C)N(C4=N3)C5=NC(=CC=C5)C(C)(C)O)C=C2.CN6CCN(CC6)C7=CC=C(NC8=NC=C9C(=O)N(CC=C)N(C9=N8)C%10=NC(=CC=C%10)C(C)(C)O)C=C7

InChI

InChIKey=BMQMRZXQRFUQIR-UHFFFAOYSA-N

InChI=1S/2C27H32N8O2.H2O/c2*1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37;/h2*5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31);1H2

HIDE SMILES / InChI

Molecular Formula	C27H32N8O2
Molecular Weight	500.5954
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 `Fri Dec 15 17:39:57 UTC 2023` Edited by `admin` on `Fri Dec 15 17:39:57 UTC 2023`
Record UNII	NDV91627P9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADAVOSERTIB HEMIHYDRATE

Common Name

English

3H-PYRAZOLO(3,4-D)PYRIMIDIN-3-ONE, 1,2-DIHYDRO-1-(6-(1-HYDROXY-1-METHYLETHYL)-2-PYRIDINYL)-6-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-2-(2-PROPEN-1-YL)-, HYDRATE (2:1)

Systematic Name

English

MK-1775 HEMIHYDRATE

Code

English

Code System Code Type Description

CAS

1277170-60-1

Created by admin on Fri Dec 15 17:39:57 UTC 2023 , Edited by admin on Fri Dec 15 17:39:57 UTC 2023

PRIMARY

PUBCHEM

50992433

Created by admin on Fri Dec 15 17:39:57 UTC 2023 , Edited by admin on Fri Dec 15 17:39:57 UTC 2023

PRIMARY

FDA UNII

NDV91627P9

Created by admin on Fri Dec 15 17:39:57 UTC 2023 , Edited by admin on Fri Dec 15 17:39:57 UTC 2023

PRIMARY

SMS_ID

300000014641

Created by admin on Fri Dec 15 17:39:57 UTC 2023 , Edited by admin on Fri Dec 15 17:39:57 UTC 2023

PRIMARY

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