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Details

Stereochemistry RACEMIC
Molecular Formula C14H19Cl2N3O4
Molecular Weight 364.224
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROCAPHANE

SMILES

NC(CC1=CC(=CC=C1CN(CCCl)CCCl)[N+]([O-])=O)C(O)=O

InChI

InChIKey=VEBTZMUIBMIPCD-UHFFFAOYSA-N
InChI=1S/C14H19Cl2N3O4/c15-3-5-18(6-4-16)9-10-1-2-12(19(22)23)7-11(10)8-13(17)14(20)21/h1-2,7,13H,3-6,8-9,17H2,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C14H19Cl2N3O4
Molecular Weight 364.224
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:32:19 GMT 2023
Edited
by admin
on Sat Dec 16 18:32:19 GMT 2023
Record UNII
6BMN3HZW9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITROCAPHANE
Common Name English
AT1258
Code English
2-((BIS(2-CHLOROETHYL)AMINO)METHYL)-5-NITROPHENYLALANINE
Systematic Name English
Nitrocaphane [WHO-DD]
Common Name English
NSC-245413
Code English
PHENYLALANINE, 2-((BIS(2-CHLOROETHYL)AMINO)METHYL)-5-NITRO-
Systematic Name English
AT-1258
Code English
Code System Code Type Description
EPA CompTox
DTXSID201201485
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
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FDA UNII
6BMN3HZW9E
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
PRIMARY
CAS
54940-95-3
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
PRIMARY
PUBCHEM
99871
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
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NSC
245413
Created by admin on Sat Dec 16 18:32:19 GMT 2023 , Edited by admin on Sat Dec 16 18:32:19 GMT 2023
PRIMARY