T-0902611 SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H16N6O3.H2O4S
Molecular Weight	402.383
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.C[C@H]1COCCN1C2=NC(C)=C(C(=N2)N3C=CN=C3)[N+]([O-])=O

InChI

InChIKey=SMRHGTDNKMWKHP-FVGYRXGTSA-N

InChI=1S/C13H16N6O3.H2O4S/c1-9-7-22-6-5-18(9)13-15-10(2)11(19(20)21)12(16-13)17-4-3-14-8-17;1-5(2,3)4/h3-4,8-9H,5-7H2,1-2H3;(H2,1,2,3,4)/t9-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C13H16N6O3
Molecular Weight	304.3045
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O4S
Molecular Weight	98.078
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 11:29:56 GMT 2023` Edited by `admin` on `Sat Dec 16 11:29:56 GMT 2023`
Record UNII	XF6X53KVZ1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

T-0902611 SULFATE

Code

English

MORPHOLINE, 4-(4-(1H-IMIDAZOL-1-YL)-6-METHYL-5-NITRO-2-PYRIMIDINYL)-3-METHYL-, (3S)-, SULFATE (1:1)

Systematic Name

English

2-(3S-3-METHYLMORPHOLINO)-4-(IMIDAZOL-1-YL)-6-METHYL-5-NITROPYRIMIDINE SULFURIC ACID SALT

Systematic Name

English

T-611 SULFATE

Code

English

(3S)-4-(4-IMIDAZOL-1-YL-6-METHYL-5-NITRO-PYRIMIDIN-2-YL)-3-METHYL-MORPHOLINE SULFURIC ACID

Systematic Name

English

T-902611 SULFATE

Code

English

Code System Code Type Description

CAS

350595-63-0

Created by admin on Sat Dec 16 11:29:56 GMT 2023 , Edited by admin on Sat Dec 16 11:29:56 GMT 2023

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FDA UNII

XF6X53KVZ1

Created by admin on Sat Dec 16 11:29:56 GMT 2023 , Edited by admin on Sat Dec 16 11:29:56 GMT 2023

PRIMARY

PUBCHEM

137331950

Created by admin on Sat Dec 16 11:29:56 GMT 2023 , Edited by admin on Sat Dec 16 11:29:56 GMT 2023

PRIMARY

Related Record Type Details


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T-0902611

PARENT -> SALT/SOLVATE

Comments:

Chemical synthesis of compound.