BMY-25282

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23N5O5
Molecular Weight	389.4057
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(N)=O)C(=O)C(N=CN(C)C)=C(C)C4=O

InChI

InChIKey=WZMFNIVNLYRDDE-ZCMHTCKSSA-N

InChI=1S/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/b20-7+/t9-,10+,16+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H23N5O5
Molecular Weight	389.4057
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:57:47 GMT 2023` Edited by `admin` on `Fri Dec 15 14:57:47 GMT 2023`
Record UNII	B9W6OO9209
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMY-25282

Code

English

BL-6782

Code

English

METHANIMIDAMIDE, N'-(8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,4,7,8,8A,8B-OCTAHYDRO-8A-METHOXY-5-METHYL-4,7-DIOXOAZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOL-6-YL)-N,N-DIMETHYL-, (1AS-(1A.ALPHA.,8.BETA.,8A.ALPHA.,8B.ALPHA.))-

Systematic Name

English

METHANIMIDAMIDE, N'-(8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,4,7,8,8A,8B-OCTAHYDRO-8A-METHOXY-5-METHYL-4,7-DIOXOAZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOL-6-YL)-N,N-DIMETHYL-, (1AS,8S,8AR,8BS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

B9W6OO9209

Created by admin on Fri Dec 15 14:57:47 GMT 2023 , Edited by admin on Fri Dec 15 14:57:47 GMT 2023

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PUBCHEM

5491989

Created by admin on Fri Dec 15 14:57:47 GMT 2023 , Edited by admin on Fri Dec 15 14:57:47 GMT 2023

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CAS

88949-01-3

Created by admin on Fri Dec 15 14:57:47 GMT 2023 , Edited by admin on Fri Dec 15 14:57:47 GMT 2023

PRIMARY

EPA CompTox

DTXSID70109866

Created by admin on Fri Dec 15 14:57:47 GMT 2023 , Edited by admin on Fri Dec 15 14:57:47 GMT 2023

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