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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H44Cl2N2O4
Molecular Weight 579.598
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAL-9

SMILES

[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)N[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](C2)OC(=O)COC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChIKey=YMLNFFIBJFJMPJ-SXROWPHRSA-N
InChI=1S/C31H44Cl2N2O4/c1-30-13-11-24(39-29(37)20-38-23-6-4-22(5-7-23)35(17-15-32)18-16-33)19-21(30)3-8-25-26(30)12-14-31(2)27(25)9-10-28(36)34-31/h4-7,21,24-27H,3,8-20H2,1-2H3,(H,34,36)/t21-,24-,25+,26-,27-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H44Cl2N2O4
Molecular Weight 579.598
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:39:48 GMT 2023
Edited
by admin
on Sat Dec 16 09:39:48 GMT 2023
Record UNII
BCT62GI7LE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAL-9
Common Name English
17A-AZA-D-HOMOANDROSTAN-17-ONE, 3-(((4-(BIS(2- CHLOROETHYL)AMINO)PHENOXY)ACETYL)OXY)-, (3.BETA.,5.ALPHA.)-
Systematic Name English
3.BETA.-HYDROXY-13.ALPHA.-AMINO-13,17-SECO-5ALPHA-ANDROSTAN-17- OIC-13,17-LACTAM-P-N,N-BIS(2-CHLOROETHYL)AMINOPHENOXYACETATE
Systematic Name English
NSC-294859
Code English
Code System Code Type Description
NSC
294859
Created by admin on Sat Dec 16 09:39:48 GMT 2023 , Edited by admin on Sat Dec 16 09:39:48 GMT 2023
PRIMARY
CAS
72273-04-2
Created by admin on Sat Dec 16 09:39:48 GMT 2023 , Edited by admin on Sat Dec 16 09:39:48 GMT 2023
PRIMARY
PUBCHEM
325713
Created by admin on Sat Dec 16 09:39:48 GMT 2023 , Edited by admin on Sat Dec 16 09:39:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID10993030
Created by admin on Sat Dec 16 09:39:48 GMT 2023 , Edited by admin on Sat Dec 16 09:39:48 GMT 2023
PRIMARY
FDA UNII
BCT62GI7LE
Created by admin on Sat Dec 16 09:39:48 GMT 2023 , Edited by admin on Sat Dec 16 09:39:48 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY