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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21N3O7
Molecular Weight 379.3645
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMY-25551

SMILES

[H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(OCCO)=C(C)C4=O

InChI

InChIKey=YJHYHDSHHWKEIS-CJUKMMNNSA-N
InChI=1S/C17H21N3O7/c1-7-12(22)11-10(13(23)14(7)26-4-3-21)8(6-27-16(18)24)17(25-2)15-9(19-15)5-20(11)17/h8-9,15,19,21H,3-6H2,1-2H3,(H2,18,24)/t8-,9+,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H21N3O7
Molecular Weight 379.3645
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 Sat Dec 16 18:34:06 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:06 GMT 2023
Record UNII
B6T7B5V394
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMY-25551
Code English
BMY25551
Code English
AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, 8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-6-(2-HYDROXYETHOXY)-8A-METHOXY-5-METHYL-, (1AS,8S,8AR,8BS)-
Systematic Name English
Code System Code Type Description
FDA UNII
B6T7B5V394
Created by admin on Sat Dec 16 18:34:06 GMT 2023 , Edited by admin on Sat Dec 16 18:34:06 GMT 2023
PRIMARY
PUBCHEM
128809
Created by admin on Sat Dec 16 18:34:06 GMT 2023 , Edited by admin on Sat Dec 16 18:34:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID80909360
Created by admin on Sat Dec 16 18:34:06 GMT 2023 , Edited by admin on Sat Dec 16 18:34:06 GMT 2023
PRIMARY
CAS
105139-98-8
Created by admin on Sat Dec 16 18:34:06 GMT 2023 , Edited by admin on Sat Dec 16 18:34:06 GMT 2023
PRIMARY