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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29N3O8
Molecular Weight 487.5024
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYLOL MINOCYCLINE

SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(O)=CC=C4N(C)C)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(=O)NCO)=C1O

InChI

InChIKey=CGFUYTDDWXBMJM-LRSHKJBPSA-N
InChI=1S/C24H29N3O8/c1-26(2)13-5-6-14(29)16-11(13)7-10-8-12-18(27(3)4)20(31)17(23(34)25-9-28)22(33)24(12,35)21(32)15(10)19(16)30/h5-6,10,12,18,28-29,31-32,35H,7-9H2,1-4H3,(H,25,34)/t10-,12-,18-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H29N3O8
Molecular Weight 487.5024
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:23:04 GMT 2025
Edited
by admin
on Wed Apr 02 00:23:04 GMT 2025
Record UNII
CY4ZWG343Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-N-(HYDROXYMETHYL)-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE
Preferred Name English
N-METHYLOL MINOCYCLINE
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4,7-BIS(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-N-(HYDROXYMETHYL)-1,11-DIOXO-, (4S,4AS,5AR,12AS)-
Systematic Name English
Code System Code Type Description
FDA UNII
CY4ZWG343Z
Created by admin on Wed Apr 02 00:23:04 GMT 2025 , Edited by admin on Wed Apr 02 00:23:04 GMT 2025
PRIMARY
CAS
1075240-33-3
Created by admin on Wed Apr 02 00:23:04 GMT 2025 , Edited by admin on Wed Apr 02 00:23:04 GMT 2025
PRIMARY