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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H33N3O8
Molecular Weight 527.5662
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRROLIDINOMETHYLDOXYCYCLINE

SMILES

C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(=O)NCN4CCCC4)C(=O)[C@@]3(O)C(O)=C2C(=O)C5=C1C=CC=C5O

InChI

InChIKey=WFDKDMCVVVTMSA-ZXQSLTRQSA-N
InChI=1S/C27H33N3O8/c1-12-13-7-6-8-14(31)16(13)21(32)17-15(12)22(33)19-20(29(2)3)23(34)18(25(36)27(19,38)24(17)35)26(37)28-11-30-9-4-5-10-30/h6-8,12,15,19-20,22,31,33-35,38H,4-5,9-11H2,1-3H3,(H,28,37)/t12-,15+,19+,20-,22-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H33N3O8
Molecular Weight 527.5662
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:01:31 GMT 2025
Edited
by admin
on Mon Mar 31 18:01:31 GMT 2025
Record UNII
3JY87D661P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-N-(1-PYRROLIDINYLMETHYL)-, (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.ALPHA.,12A.ALPHA.))-
Preferred Name English
PYRROLIDINOMETHYLDOXYCYCLINE
Common Name English
Code System Code Type Description
CAS
27639-12-9
Created by admin on Mon Mar 31 18:01:31 GMT 2025 , Edited by admin on Mon Mar 31 18:01:31 GMT 2025
PRIMARY
PUBCHEM
72941536
Created by admin on Mon Mar 31 18:01:31 GMT 2025 , Edited by admin on Mon Mar 31 18:01:31 GMT 2025
PRIMARY
FDA UNII
3JY87D661P
Created by admin on Mon Mar 31 18:01:31 GMT 2025 , Edited by admin on Mon Mar 31 18:01:31 GMT 2025
PRIMARY
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