ASPEROPTERIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H17N5O7
Molecular Weight	355.3034
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(=O)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=NC3=C1N=C(N)NC3=O

InChI

InChIKey=MRBUYDSOIPUZCN-JTFADIMSSA-N

InChI=1S/C13H17N5O7/c1-18-9-6(10(22)17-13(14)16-9)15-4(11(18)23)3-24-12-8(21)7(20)5(2-19)25-12/h5,7-8,12,19-21H,2-3H2,1H3,(H3,14,16,17,22)/t5-,7-,8-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H17N5O7
Molecular Weight	355.3034
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 `Mon Mar 31 21:18:09 GMT 2025` Edited by `admin` on `Mon Mar 31 21:18:09 GMT 2025`
Record UNII	BNI99F2NUW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASPEROPTERIN A

Common Name

English

ASPEROPTERIN-A

Preferred Name

English

4,7(3H,8H)-PTERIDINEDIONE, 2-AMINO-8-METHYL-6-((.BETA.-D-RIBOFURANOSYLOXY)METHYL)-

Systematic Name

English

2-AMINO-8-METHYL-6-((.BETA.-D-RIBOFURANOSYLOXY)METHYL)-4,7(3H,8H)-PTERIDINEDIONE

Systematic Name

English

2-AMINO-6-(((2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)OXYMETHYL)-8-METHYL-1H-PTERIDINE-4,7-DIONE

Systematic Name

English

4,7(1H,8H)-PTERIDINEDIONE, 2-AMINO-8-METHYL-6-((.BETA.-D-RIBOFURANOSYLOXY)METHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

135565483

Created by admin on Mon Mar 31 21:18:09 GMT 2025 , Edited by admin on Mon Mar 31 21:18:09 GMT 2025

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FDA UNII

BNI99F2NUW

Created by admin on Mon Mar 31 21:18:09 GMT 2025 , Edited by admin on Mon Mar 31 21:18:09 GMT 2025

PRIMARY

CAS

35888-42-7

Created by admin on Mon Mar 31 21:18:09 GMT 2025 , Edited by admin on Mon Mar 31 21:18:09 GMT 2025

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