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butanoic acid; 2-chloranyl-N-(2-chloroethyl)ethanamine

Systemtic Name:	butanoic acid; 2-chloranyl-N-(2-chloroethyl)ethanamine
Openeye Name:	butyric acid; 2-chloro-N-(2-chloroethyl)ethanamine
CAS Name:	butanoic acid; 2-chloro-N-(2-chloroethyl)ethanamine
IUPAC Name:	butanoic acid; 2-chloro-N-(2-chloroethyl)ethanamine
Traditional Name:	bis(2-chloroethyl)amine; butyric acid
Formula:	C₈H₁₇Cl₂NO₂
MolecularWeight:	230.13208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.C(CCl)NCCCl

Isomeric SMILES

CCCC(=O)O.C(CCl)NCCCl

InChI

InChI=1S/C4H9Cl2N.C4H8O2/c5-1-3-7-4-2-6;1-2-3-4(5)6/h7H,1-4H2;2-3H2,1H3,(H,5,6)

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4-[1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
4-[1-[3-[3-[bis(2-bromoethyl)amino]phenyl]propanoyl]-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
2-[4-[1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanoic acid
4-[1-[2-[4-[bis(2-chloranylpropyl)amino]phenyl]ethanoyl]-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
2-[4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethylsulfonyl 2-[bis(2-chloroethyl)amino]ethanoate
4-[1-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoyl]-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
4-[1-[2-[4-[bis(2-bromoethyl)amino]phenyl]ethanoyl]-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
4-[1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
4-[1-[2-[4-[bis(2-bromoethyl)amino]phenyl]ethanoyl]-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-1-(2-phenylethanoyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid