RO-23-9424 DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H31F3N8O8S2.2ClH
Molecular Weight	837.674
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.[H][C@]12SCC(COC(=O)C3=CN(CCF)C4=C(F)C(N5CCN(C)CC5)=C(F)C=C4C3=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C6=CSC(N)=N6)C(O)=O

InChI

InChIKey=DSGXXSRGPIYUHF-ZVOUVGCISA-N

InChI=1S/C31H31F3N8O8S2.2ClH/c1-39-5-7-40(8-6-39)24-17(33)9-15-23(19(24)34)41(4-3-32)10-16(25(15)43)30(48)50-11-14-12-51-28-21(27(45)42(28)22(14)29(46)47)37-26(44)20(38-49-2)18-13-52-31(35)36-18;;/h9-10,13,21,28H,3-8,11-12H2,1-2H3,(H2,35,36)(H,37,44)(H,46,47);2*1H/b38-20-;;/t21-,28-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C31H31F3N8O8S2
Molecular Weight	764.752
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
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 15:39:40 UTC 2023` Edited by `admin` on `Fri Dec 15 15:39:40 UTC 2023`
Record UNII	PL877312XZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO-23-9424 DIHYDROCHLORIDE

Common Name

English

RO-239424 DIHYDROCHLORIDE

Code

English

Code System Code Type Description

PUBCHEM

9690113

Created by admin on Fri Dec 15 15:39:40 UTC 2023 , Edited by admin on Fri Dec 15 15:39:40 UTC 2023

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FDA UNII

PL877312XZ

Created by admin on Fri Dec 15 15:39:40 UTC 2023 , Edited by admin on Fri Dec 15 15:39:40 UTC 2023

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CAS

139263-69-7

Created by admin on Fri Dec 15 15:39:40 UTC 2023 , Edited by admin on Fri Dec 15 15:39:40 UTC 2023

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