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Details

Stereochemistry ACHIRAL
Molecular Formula C29H35N3O7.ClH
Molecular Weight 574.065
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRL-32872

SMILES

Cl.COC1=CC=C(CCN(C)CCCN(C(=O)C2=CC=C(C=C2)[N+]([O-])=O)C3=CC=C(OC)C(OC)=C3)C=C1OC

InChI

InChIKey=CMKVOHIRMCFVBJ-UHFFFAOYSA-N
InChI=1S/C29H35N3O7.ClH/c1-30(18-15-21-7-13-25(36-2)27(19-21)38-4)16-6-17-31(24-12-14-26(37-3)28(20-24)39-5)29(33)22-8-10-23(11-9-22)32(34)35;/h7-14,19-20H,6,15-18H2,1-5H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C29H35N3O7
Molecular Weight 537.6041
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
WFVI5D2FH4
Record Status Validated (UNII)
Record Version