FR-48736 dihydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23N7O6.2ClH
Molecular Weight	530.362
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.COC1=CC=C(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2C(O)=O)N3C=NC4=C(N)N=CN=C34)C=C1

InChI

InChIKey=PBBILRIVIKRJIY-IGNNWOBTSA-N

InChI=1S/C20H23N7O6.2ClH/c1-32-10-4-2-9(3-5-10)6-11(21)18(29)26-12-14(28)19(33-15(12)20(30)31)27-8-25-13-16(22)23-7-24-17(13)27;;/h2-5,7-8,11-12,14-15,19,28H,6,21H2,1H3,(H,26,29)(H,30,31)(H2,22,23,24);2*1H/t11-,12-,14+,15-,19+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C20H23N7O6
Molecular Weight	457.4399
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
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 `Sat Dec 16 18:57:22 UTC 2023` Edited by `admin` on `Sat Dec 16 18:57:22 UTC 2023`
Record UNII	CXX68L7PGH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-48736 dihydrochloride

Common Name

English

β-D-Ribofuranuronic acid, 3-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-(6-amino-9H-purin-9-yl)-1,3-dideoxy-, dihydrochloride, (S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

CXX68L7PGH

Created by admin on Sat Dec 16 18:57:22 UTC 2023 , Edited by admin on Sat Dec 16 18:57:22 UTC 2023

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PUBCHEM

3070856

Created by admin on Sat Dec 16 18:57:22 UTC 2023 , Edited by admin on Sat Dec 16 18:57:22 UTC 2023

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EPA CompTox

DTXSID601007194

Created by admin on Sat Dec 16 18:57:22 UTC 2023 , Edited by admin on Sat Dec 16 18:57:22 UTC 2023

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CAS

86936-92-7

Created by admin on Sat Dec 16 18:57:22 UTC 2023 , Edited by admin on Sat Dec 16 18:57:22 UTC 2023

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