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Details

Stereochemistry ACHIRAL
Molecular Formula C23H16O6.2C19H17N3.2H2O
Molecular Weight 999.1169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARAROSANILINE PAMOATE

SMILES

O.O.NC1=CC=C(C=C1)C(C2=CC=C(N)C=C2)=C3C=CC(=N)C=C3.NC4=CC=C(C=C4)C(C5=CC=C(N)C=C5)=C6C=CC(=N)C=C6.OC(=O)C7=CC8=C(C=CC=C8)C(CC9=C%10C=CC=CC%10=CC(C(O)=O)=C9O)=C7O

InChI

InChIKey=HFAAHEOLTBJLBO-UHFFFAOYSA-N
InChI=1S/C23H16O6.2C19H17N3.2H2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*1-12,20H,21-22H2;2*1H2

HIDE SMILES / InChI

Molecular Formula C23H16O6
Molecular Weight 388.3695
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H17N3
Molecular Weight 287.3584
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:20:26 UTC 2023
Edited
by admin
on Fri Dec 15 16:20:26 UTC 2023
Record UNII
856KL5XV3O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PARAROSANILINE PAMOATE
USAN  
USAN  
Official Name English
CI 403A
Code English
PARAROSANILINE PAMOATE [USAN]
Common Name English
NSC-107529
Code English
PARAROSANILINE EMBONATE DIHYDRATE
Common Name English
NSC-758408
Code English
CN-15573-23A
Code English
.ALPHA.-(P-AMINOPHENYL)-.ALPHA.-(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)-P-TOLUIDINE 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHOATE) (2:1) DIHYDRATE
Common Name English
CI-403A
Code English
CN-15,573-23A
Code English
PS-1286
Code English
2-NAPHTHALENECARBOXYLIC ACID, 4,4'-METHYLENEBIS(3-HYDROXY-, COMPD. WITH 4-((4-AMINOPHENYL)(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)BENZENAMINE (1:2) DIHYDRATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C461
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
Code System Code Type Description
PUBCHEM
11980056
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
NSC
107529
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
NSC
758408
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
CAS
7232-51-1
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
NCI_THESAURUS
C87719
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
ChEMBL
CHEMBL1368322
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
FDA UNII
856KL5XV3O
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID20894185
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
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