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Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
9 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
4 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
9 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
15 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
15 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
11 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Upstream Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Abiotic
Depiction
Product
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depiction
Upstream Precursor
Plerixafor N-Oxide
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[N+]3(CCCNCCNCCCNCC3)[O-]
Abiotic
Depiction
Product
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depiction
Upstream Precursor
Plerixafor N-Oxide
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[N+]3(CCCNCCNCCCNCC3)[O-]
Environmental
Depiction
Product
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depiction
Upstream Precursor
Plerixafor Impurity V
C1CNCCNCCC[N+](CCNC1)(CC2=CC=C(C=C2)C[N+]3(CCCNCCNCCCNCC3)[O-])[O-]
Environmental
Depiction
Product
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Environmental
Depiction
Downstream Successor
1,4,8,11-Tetraazacyclotetradecane
N1CCCNCCNCCCNCC1
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Abiotic
Depiction
Downstream Successor
1,4,8,11-Tetraazacyclotetradecane
N1CCCNCCNCCCNCC1
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Abiotic
Depiction
Downstream Successor
1,4-Benzenedimethanol
OCC1=CC=C(C=C1)CO
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Environmental
Depiction
Downstream Successor
Plerixafor Impurity W
C1CNCCNCCCN(CCNC1)Cc2ccc(cc2)C=O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Abiotic
Depiction
Downstream Successor
Plerixafor Impurity W
C1CNCCNCCCN(CCNC1)Cc2ccc(cc2)C=O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Abiotic
Depiction
Downstream Successor
N-(4-Hydroxymethylbenzyl) cyclam
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CO
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Abiotic
Depiction
Downstream Successor
C(c1ccc(cc1)CN2CCCN(CCNCCCNCC2)O)=O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Environmental
Depiction
Downstream Successor
C(c1ccc(cc1)CN2CCCN(CCNCCCNCC2)O)=O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Environmental
Depiction
Downstream Successor
C(c1ccc(cc1)CN2CCCNCCNCCCN(CC2)Cl)=O
Depiction
Precursor
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Abiotic
Depiction
Downstream Successor
C(c1ccc(cc1)CN2CCCNCCNCCCN(CC2)Cl)=O
No Original Precursors

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