U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H34Cl2N6O4
Molecular Weight 493.428
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N''-((1,1'-BICYCLOHEXYL)-4,4'-DIYLBIS(METHYLENE))BIS(N'-(2-CHLOROETHYL)-N'-NITROSOUREA, (TRANS,TRANS)-

SMILES

[H][C@@]1(CC[C@H](CNC(=O)N(CCCl)N=O)CC1)[C@@]2([H])CC[C@H](CNC(=O)N(CCCl)N=O)CC2

InChI

InChIKey=WJYFTCZPRUDXPK-OPMHRUBESA-N
InChI=1S/C20H34Cl2N6O4/c21-9-11-27(25-31)19(29)23-13-15-1-5-17(6-2-15)18-7-3-16(4-8-18)14-24-20(30)28(26-32)12-10-22/h15-18H,1-14H2,(H,23,29)(H,24,30)/t15-,16-,17-,18-

HIDE SMILES / InChI

Approval Year