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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18N4O5
Molecular Weight 334.3272
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1R,2S)-7-AMINO-9-(((AMINOCARBONYL)OXY)METHYL)-2,3-DIHYDRO-1-HYDROXY-6-METHYL-2-(METHYLAMINO)-1H-PYRROLO(1,2-A)INDOLE-5,8-DIONE

SMILES

CN[C@H]1CN2C([C@@H]1O)=C(COC(N)=O)C3=C2C(=O)C(C)=C(N)C3=O

InChI

InChIKey=JREJOMLMGXCYLK-WPPNPWJKSA-N
InChI=1S/C15H18N4O5/c1-5-9(16)14(22)8-6(4-24-15(17)23)10-13(21)7(18-2)3-19(10)11(8)12(5)20/h7,13,18,21H,3-4,16H2,1-2H3,(H2,17,23)/t7-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H18N4O5
Molecular Weight 334.3272
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:17:37 GMT 2023
Edited
by admin
on Sat Dec 16 16:17:37 GMT 2023
Record UNII
6WL4EA4XFV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1R,2S)-7-AMINO-9-(((AMINOCARBONYL)OXY)METHYL)-2,3-DIHYDRO-1-HYDROXY-6-METHYL-2-(METHYLAMINO)-1H-PYRROLO(1,2-A)INDOLE-5,8-DIONE
Systematic Name English
PORFIROMYCIN METABOLITE M2
Common Name English
1H-PYRROLO(1,2-A)INDOLE-5,8-DIONE, 7-AMINO-9-(((AMINOCARBONYL)OXY)METHYL)-2,3-DIHYDRO-1-HYDROXY-6-METHYL-2-(METHYLAMINO)-, (1R-TRANS)-
Systematic Name English
1H-PYRROLO(1,2-A)INDOLE-5,8-DIONE, 7-AMINO-9-(((AMINOCARBONYL)OXY)METHYL)-2,3-DIHYDRO-1-HYDROXY-6-METHYL-2-(METHYLAMINO)-, (1R,2S)-
Systematic Name English
Code System Code Type Description
CAS
92761-63-2
Created by admin on Sat Dec 16 16:17:37 GMT 2023 , Edited by admin on Sat Dec 16 16:17:37 GMT 2023
PRIMARY
PUBCHEM
13968325
Created by admin on Sat Dec 16 16:17:37 GMT 2023 , Edited by admin on Sat Dec 16 16:17:37 GMT 2023
PRIMARY
FDA UNII
6WL4EA4XFV
Created by admin on Sat Dec 16 16:17:37 GMT 2023 , Edited by admin on Sat Dec 16 16:17:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE