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Details

Stereochemistry ACHIRAL
Molecular Formula C11H18ClN3O4
Molecular Weight 291.731
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl trans-4-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]cyclohexanecarboxylate

SMILES

COC(=O)[C@H]1CC[C@@H](CC1)NC(=O)N(CCCl)N=O

InChI

InChIKey=YSVWGWBSXUMUGW-KYZUINATSA-N
InChI=1S/C11H18ClN3O4/c1-19-10(16)8-2-4-9(5-3-8)13-11(17)15(14-18)7-6-12/h8-9H,2-7H2,1H3,(H,13,17)/t8-,9-

HIDE SMILES / InChI

Molecular Formula C11H18ClN3O4
Molecular Weight 291.731
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 Tue Apr 01 19:44:17 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:17 GMT 2025
Record UNII
D23Y4H4GEZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl trans-4-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]cyclohexanecarboxylate
Systematic Name English
NSC-155948
Preferred Name English
Cyclohexanecarboxylic acid, 4-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-, methyl ester, trans-
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 4-(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)-, METHYL ESTER, (E)-
Common Name English
Code System Code Type Description
PUBCHEM
98636
Created by admin on Tue Apr 01 19:44:17 GMT 2025 , Edited by admin on Tue Apr 01 19:44:17 GMT 2025
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NSC
155948
Created by admin on Tue Apr 01 19:44:17 GMT 2025 , Edited by admin on Tue Apr 01 19:44:17 GMT 2025
PRIMARY
FDA UNII
D23Y4H4GEZ
Created by admin on Tue Apr 01 19:44:17 GMT 2025 , Edited by admin on Tue Apr 01 19:44:17 GMT 2025
PRIMARY
CAS
61137-47-1
Created by admin on Tue Apr 01 19:44:17 GMT 2025 , Edited by admin on Tue Apr 01 19:44:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID60210027
Created by admin on Tue Apr 01 19:44:17 GMT 2025 , Edited by admin on Tue Apr 01 19:44:17 GMT 2025
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